SCHEMBL3722473

SCHEMBL3722473

Cc1c(Cc2cccnc2S(=O)(=O)Nc2cccc(F)c2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.72
PTGIR P43119 1/20 0.49
PTGDR Q13258 1/20 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
SCHEMBL1466284 0.95 PTGDR2 (0.77) PTGDR2PTGIRPTGDR
SCHEMBL3717896 0.92 PTGDR2 (0.60) PTGDR2PTGIRPTGDR
SCHEMBL1466930 0.88 PTGDR2 (0.73) PTGDR2PTGIRPTGDR
SCHEMBL1466741 0.88 PTGDR2 (0.66) PTGDR2PTGIRPTGDR
SCHEMBL1598755 0.84 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL1466910 0.84 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL1465961 0.82 PTGDR2 (0.75) PTGDR2PTGIRPTGDR
SCHEMBL1467394 0.81 PTGDR2 (0.85) PTGDR2PTGIRPTGDR
SCHEMBL1466927 0.81 PTGDR2 (0.75) PTGDR2PTGIRPTGDR
SCHEMBL1921057 0.81 PTGDR2 (0.56) PTGDR2PTGIRPTGDR

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
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed