SCHEMBL7777664

SCHEMBL7777664

CC=Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
PTGS1 P23219 7/20 0.44

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
SCHEMBL7779634 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7780741 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7773100 0.84 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8634798 0.82 PTGS1 (0.42) PTGS2PTGS1
SCHEMBL7801339 0.82 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7778186 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7777722 0.80 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7779817 0.80 CA9 (0.48) PTGS2PTGS1
SCHEMBL7780664 0.80 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7780884 0.80 PTGS2 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed