SCHEMBL8973806

SCHEMBL8973806

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.43
PTGS1 P23219 2/20 0.40
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL8974083 0.93 PTGDR2 (0.43) PTGS2PTGS1PTGDR2
SCHEMBL8974071 0.88 CA2 (0.41) PTGS2PTGS1
SCHEMBL8974705 0.87 PTGS2 (0.41) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974609 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8974238 0.85 PTGS2 (0.46) PTGS2PTGS1PTGDR2GPR119
SCHEMBL8974225 0.85 PTGS2 (0.46) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974772 0.85 PTGS2 (0.46) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974518 0.83 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974658 0.83 CA2 (0.41) PTGS2PTGS1
SCHEMBL8974921 0.83 PTGS2 (0.44) PTGS2PTGS1KDRMAPK14GPR119

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