SCHEMBL7845977

SCHEMBL7845977

COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)s2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.80
PTGS1 P23219 6/20 0.62
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL7833473 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10506565 0.87 PTGS2 (0.78) PTGS2
SCHEMBL7845380 0.86 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7842726 0.85 PTGS2 (0.78) PTGS2PTGS1CA12CA2CA9
SCHEMBL7840831 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7833528 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL11455410 0.80 PTGS2 (0.66) PTGS2
SCHEMBL7841695 0.80 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7843865 0.80 PTGS2 (0.77) PTGS2PTGS1CA12CA2CA9
SCHEMBL7833933 0.80 PTGS2 (0.77) PTGS2PTGS1CA12CA2CA9

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