SCHEMBL7842553

SCHEMBL7842553

NS(=O)(=O)c1ccc(-c2nc(COCc3ccc4ccccc4c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.66
PTGS1 P23219 10/20 0.66
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL7842515 1.00 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL7841803 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7832907 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7841855 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7843712 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7844193 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7842885 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7834417 0.82 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL7845416 0.82 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL7832909 0.81 PTGS2 (0.48) 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