SCHEMBL3931008

SCHEMBL3931008

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3c(F)cccc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.51
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL3929149 0.92 PTGDR2 (0.51) PTGDR2PKMHTTALDH1A1KDM4E
SCHEMBL3931978 0.89 MEN1 (0.54) PTGDR2PKMHTTALDH1A1KDM4E
SCHEMBL3928769 0.89 PTGDR2 (0.61) PTGDR2HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3932364 0.89 PTGDR2 (0.55) PTGDR2PKMHTTALDH1A1KDM4E
SCHEMBL3937820 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1KDM4ESMN1; SMN2STAT3
SCHEMBL3929213 0.85 MEN1 (0.50) PTGDR2PKMHTTALDH1A1KDM4E
SCHEMBL3936773 0.85 PTGDR2 (0.60) PTGDR2ALDH1A1KDM4ESMN1; SMN2STAT3
SCHEMBL3937365 0.84 PTGDR2 (0.53) PTGDR2ALDH1A1KDM4ESMN1; SMN2STAT3
SCHEMBL3928709 0.84 TP53 (0.55) PTGDR2PKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL4106390 0.84 KDM4E (0.63) HTTALDH1A1KDM4ESMN1; SMN2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490024-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN claimed
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed