SCHEMBL8764475

SCHEMBL8764475

CCCc1nn(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.48
ALOX5 P09917 1/20 0.44
PTGS1 P23219 3/20 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
SCHEMBL8765330 0.91 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8765196 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8632473 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8765344 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8638385 0.80 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL214910 0.80 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8638318 0.79 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8765486 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765500 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765792 0.77 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 US disclosed
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 EP disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed