SCHEMBL5358016

SCHEMBL5358016

CS(=O)(=O)c1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.76
PTGDR Q13258 2/20 0.76
PTGIR P43119 1/20 0.76
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
Timapiprant SCHEMBL29379400 0.86 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29648518 0.86 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL1782956 0.86 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL1786306 0.80 PTGDR2 (0.73) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL1782585 0.79 PTGDR2 (0.72) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL1786702 0.78 PTGDR2 (0.85) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL16558834 0.77 PTGDR2 (0.82) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL15016329 0.77 PTGDR2 (0.78) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL22167497 0.76 PTGDR2 (0.80) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL18456932 0.76 PTGDR2 (0.81) PTGDR2PTGDRPTGIR

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
EP-2697215-A1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID Atopix Therapeutics Limited (GB) 2014-02-19 EP disclosed
WO-2012119841-A1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID OXAGEN LIMITED (GB) 2012-09-13 WO disclosed
EP-1856094-A1 MICROCRYSTALLINE (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)ACETIC ACID Oxagen Limited (GB) 2007-11-21 EP disclosed
WO-2006092579-A1 MICROCRYSTALLINE ( 5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL) ACETIC ACID OXAGEN LIMITED (GB) 2006-09-08 WO disclosed