SCHEMBL7780558

SCHEMBL7780558

CC=Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.48
PTGS1 P23219 4/20 0.43
PI4KB Q9UBF8 1/20 0.42
CSF1R P07333 1/20 0.39

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
SCHEMBL7773221 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7773322 0.86 PTGS2 (0.52) PTGS2PTGS1PI4KB
SCHEMBL7772897 0.85 PTGS2 (0.51) PTGS2PTGS1PI4KB
SCHEMBL7799053 0.84 PTGS2 (0.49) PTGS2PTGS1PI4KB
SCHEMBL7779165 0.84 PTGS2 (0.50) PTGS2PTGS1PI4KB
SCHEMBL7772889 0.83 PTGS2 (0.48) PTGS2PTGS1PI4KB
SCHEMBL7777662 0.83 PTGS2 (0.50) PTGS2PTGS1PI4KB
SCHEMBL7780040 0.82 PTGS2 (0.48) PTGS2PTGS1PI4KB
SCHEMBL7773198 0.81 PTGS2 (0.51) PTGS2PTGS1PI4KB
SCHEMBL7780439 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 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