SCHEMBL7841003

SCHEMBL7841003

Cc1ccc(OCc2nc(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(F)cc3)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.73
PTGS1 P23219 8/20 0.73
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
PPARD Q03181 2/20 0.47

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
SCHEMBL7845982 1.00 PTGS2 (0.73) PTGS2PTGS1CA12CA1CA2
SCHEMBL7843839 0.95 PTGS2 (0.80) PTGS2PTGS1CA12CA1CA2
SCHEMBL7842011 0.95 PTGS2 (0.80) PTGS2PTGS1CA12CA1CA2
SCHEMBL7840170 0.91 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7842153 0.91 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7842564 0.90 PTGS2 (0.83) PTGS2PTGS1CA12CA1CA2
SCHEMBL7832618 0.90 PTGS2 (0.83) PTGS2PTGS1CA12CA1CA2
SCHEMBL7834330 0.90 PTGS2 (0.73) PTGS2PTGS1CA12CA1CA2
SCHEMBL7833532 0.90 PTGS2 (0.73) PTGS2PTGS1CA12CA1CA2
SCHEMBL7834417 0.89 PTGS2 (0.76) 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