SCHEMBL7846465

SCHEMBL7846465

NS(=O)(=O)c1ccc(-c2sc(C(=O)c3cccc(F)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
PTGS2 P35354 15/20 0.52
PTGS1 P23219 9/20 0.52
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7844428 1.00 CCNA2 (0.53) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7845016 0.91 PTGS2 (0.54) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7846445 0.91 PTGS2 (0.52) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7844622 0.91 PTGS2 (0.52) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7841215 0.91 PTGS2 (0.54) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7843428 0.90 PTGS2 (0.57) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7843800 0.90 PTGS2 (0.52) PTGS2PTGS1PTGDR2
SCHEMBL7843514 0.90 PTGS2 (0.52) PTGS2PTGS1PTGDR2
SCHEMBL7845608 0.90 PTGS2 (0.57) CCNA2CDK2PTGS2PTGS1CA1
SCHEMBL7841286 0.89 PTGS2 (0.61) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed