SCHEMBL8974303

SCHEMBL8974303

CC1(C(F)(F)F)C=C(c2ccc(F)cc2)C(c2ccc(S(C)(=O)=O)cc2)=C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.64
PTGS1 P23219 7/20 0.64

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
SCHEMBL8974285 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8974500 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8974455 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8973922 0.86 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL851339 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8974485 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL213199 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9117072 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8974299 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6470141 0.76 PTGS2 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed