SCHEMBL8765684

SCHEMBL8765684

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3Cl)c(C(F)F)nn2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
PTGS2 P35354 12/20 0.43
PTGS1 P23219 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX5 P09917 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
SCHEMBL8765487 0.90 PTGS2 (0.43) PTGS2ALOX5
SCHEMBL8764843 0.89 HSD11B1 (0.46) HSD11B1PTGS2
SCHEMBL8765673 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765159 0.88 PTGS2 (0.44) PTGS2PTGS1HIF1AALOX5
SCHEMBL8764443 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8672399 0.87 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL8638385 0.84 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8765892 0.84 PTGS2 (0.46) PTGS2PTGS1ALOX5
Dimethylamine SCHEMBL8765691 0.84 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL8765317 0.83 PTGS2 (0.48) HSD11B1PTGS2PTGS1

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