SCHEMBL8639728

SCHEMBL8639728

NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)c(C(F)(F)F)nn2-c2ccc(Br)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.69
PTGS1 P23219 15/20 0.69
PDPK1 O15530 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 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
SCHEMBL8638299 0.97 PTGS2 (0.64) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8765139 0.96 PTGS2 (0.63) PTGS2PTGS1CA1CA2CA4
SCHEMBL27475175 0.93 PTGS2 (0.78) PTGS2PTGS1PDPK1
SCHEMBL8764637 0.92 PTGS2 (0.72) PTGS2PTGS1PDPK1
SCHEMBL8631360 0.90 PTGS2 (0.73) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8607041 0.90 PTGS2 (0.70) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8636842 0.90 PTGS2 (0.70) PTGS2PTGS1PDPK1
SCHEMBL8631459 0.90 PTGS2 (0.70) PTGS2PTGS1PDPK1
SCHEMBL8765069 0.89 PTGS2 (0.74) PTGS2PTGS1PDPK1
SCHEMBL8637873 0.89 PTGS2 (0.69) PTGS2PTGS1PDPK1CA1CA2

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
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 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