SCHEMBL7843989

SCHEMBL7843989

NS(=O)(=O)c1ccc(-c2nc(C(=O)Nc3cc(F)cc(F)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.50
PTGS1 P23219 9/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
SOS1 Q07889 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL7842841 1.00 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL7843932 0.92 CA2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL7844194 0.92 CA2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL7843515 0.91 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL7842908 0.91 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL7845065 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL7832452 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL7845746 0.89 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA4
SCHEMBL7845836 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7840455 0.89 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA4

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