SCRIPDB Partnered with NIH PubChem

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SCRIPDB allows users to search for data in patents based on chemical structure, such as the imatinib mesylate (gleevec) shown here from US Patent 06171777.

SCRIPDB allows users to search for data in patents based on chemical structure, such as the imatinib mesylate (gleevec) shown here from US Patent 06171777.

Dr. Igor Jurisica, Co-Lead of Techna’s Informatics and Communications Technology Core, is pleased to announce that SCRIPDB is now integrated as a source for NIH’s PubChem. Developed by Abraham Heifets, a PhD student in Dr. Jurisica’s lab at UHN, SCRIPDB is a chemical structure database that collects and organizes the public-domain information about compounds from US patents and patent applications. Users can search the database by chemical structure or similarity and access the patent text, chemical reactions or relationships from any patent that describes the compound.

Patents are a rich source of data about bioactive molecules. An application often includes mechanisms of action, diseases targeted or the synthetic pathways used to produce molecules of interest. There are millions of patents in the US, with approximately 12,000 new chemistry- and drug-related patents issued each year. Many patents cover multiple chemicals—1,300 patents include over 1,000 compounds each.

NIH PubChem is a free database of molecules that provides information on a wide variety of properties, including bioactivity and chemical structure. The data underlying PubChem comes from 207 sources, SCRIPDB being the latest and 7th largest (second largest academic)—714 times larger than the next largest Canadian contribution.

Related papers:
Heifets, A., Jurisica, I. Construction of new medicines via game proof search. 26th American Association for Artificial Intelligence Conference on Artificial Intelligence (AAAI-12), AAAI Press, Menlo Park, 2012.

Heifets, A. and Jurisica, I. SCRIPDB: A portal for easy access to syntheses, chemicals, and reactions in patents. Nucl Acids Res, 40, D428-33, Published online November 8, 2011 doi:10.1093/nar/gkr919.