SCHEMBL8974103

SCHEMBL8974103

CS(=O)(=O)c1ccc(C2=CC(CO)(CO)C=C2c2ccc(F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.49
PTGS1 P23219 2/20 0.49

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
SCHEMBL8974711 0.93 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8974069 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8974577 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8974097 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8974323 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8974066 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8973832 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8974084 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8974701 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL9117576 0.83 PTGS2 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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