SCHEMBL7780882

SCHEMBL7780882

C=CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.82
PTGS1 P23219 7/20 0.50

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
SCHEMBL7779750 0.92 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7780570 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL251700 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7779281 0.90 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL7779400 0.90 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL7772915 0.89 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7777667 0.89 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7773179 0.89 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7779751 0.88 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7779275 0.88 PTGS2 (0.79) 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 5 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
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed