SCHEMBL7843369

SCHEMBL7843369

NS(=O)(=O)c1ccc(-c2sc(Nc3cccc(C(=O)O)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.52
CDK2 P24941 9/20 0.52
PTGS2 P35354 6/20 0.48
PTGS1 P23219 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7845452 0.90 PTGS2 (0.54) PTGS2PTGS1PTGDR2
SCHEMBL7839771 0.88 CA1 (0.54) CCNA2CDK2PTGS2PTGS1MEN1
SCHEMBL7833260 0.87 PTGS2 (0.53) CCNA2CDK2PTGS2PTGS1MEN1
SCHEMBL7843373 0.86 PTGDR2 (0.46) CCNA2CDK2PTGS2MEN1KMT2A
SCHEMBL7843934 0.81 SMN1; SMN2 (0.58) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL7832857 0.81 SMN1; SMN2 (0.58) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL7845012 0.80 CCNA2 (0.51) CCNA2CDK2PTGS2PTGS1MEN1
SCHEMBL7840984 0.80 CCNA2 (0.51) CCNA2CDK2PTGS2PTGS1MEN1
SCHEMBL7845455 0.80 PTGDR2 (0.46) CCNA2CDK2PTGS2MEN1KMT2A
SCHEMBL7844920 0.80 PTGS2 (0.61) PTGS2PTGS1MEN1KMT2APTGDR2

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