SCHEMBL9013777

SCHEMBL9013777

CS(=O)(=O)c1ccc[c]c1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL9012587 0.88
SCHEMBL6044343 0.78 PTGS2 (0.44)
SCHEMBL7848186 0.77 PTGS2 (0.35) ALOX5APFEN1
SCHEMBL2653491 0.76 ACLY (0.33) ALOX5APFEN1CCR2
SCHEMBL16720034 0.75 PTGS2 (0.39)
SCHEMBL16719622 0.74 PTGS2 (0.40)
SCHEMBL5790164 0.74 PTGS2 (0.41) ALOX5APFEN1
SCHEMBL9118051 0.72 PTGS2 (0.37)
SCHEMBL9012696 0.72 HTR2A (0.30)
SCHEMBL9013457 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed