SCHEMBL8637601

SCHEMBL8637601

COc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.54
F10 P00742 1/20 0.49
PTGS1 P23219 6/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8664096 0.97 PTGS2 (0.59) PTGS2F10PTGS1
SCHEMBL8765595 0.95 PTGS2 (0.54) PTGS2F10PTGS1
SCHEMBL8765109 0.91 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8637819 0.91 PTGS2 (0.67) PTGS2F10PTGS1
SCHEMBL214910 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8609556 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8639536 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8765218 0.88 PTGS2 (0.54) PTGS2PTGS1
Dimethylamine SCHEMBL8765090 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8635582 0.88 PTGS2 (0.72) PTGS2F10PTGS1

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 10 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 claimed
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 claimed
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 claimed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
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
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO 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