SCHEMBL7843428

SCHEMBL7843428

NS(=O)(=O)c1ccc(-c2sc(C(=O)c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.57
PTGS1 P23219 7/20 0.57
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL7845608 1.00 PTGS2 (0.57) PTGS2PTGS1CA12CA1CA2
SCHEMBL7845262 0.94 PTGS2 (0.55) PTGS2PTGS1PTGDR2
SCHEMBL7840109 0.94 PTGS2 (0.55) PTGS2PTGS1PTGDR2
SCHEMBL7846465 0.90 CCNA2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL7844428 0.90 CCNA2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL7840177 0.89 PTGS2 (0.58) PTGS2PTGS1CA12CA2CA9
SCHEMBL7842805 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7840983 0.89 PTGS2 (0.58) PTGS2PTGS1CA12CA1CA2
SCHEMBL7845579 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7846357 0.89 PTGS2 (0.58) PTGS2PTGS1CA12CA1CA2

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