SCHEMBL6164735

SCHEMBL6164735

O=C(O)COc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.57
PTPN1 P18031 1/20 0.53
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2351986 0.85 TSHR (0.47) PTGDR2PTPN1
SCHEMBL5366352 0.82 PTGDR2 (0.50) PTGDR2TDP1
SCHEMBL12082905 0.81 RXRA (0.48) PTGDR2
SCHEMBL6165389 0.80 TDP1 (0.64) PTGDR2PTPN1TDP1
SCHEMBL5763861 0.78 S1PR3 (0.49) PTGDR2TDP1
SCHEMBL4004421 0.78 APEX1 (0.60) PTGDR2PTPN1
SCHEMBL3240203 0.78 PKM (0.59) PTGDR2PTPN1TDP1
SCHEMBL4808533 0.77 PTGDR2 (0.51) PTGDR2TDP1
SCHEMBL23321157 0.77 PTGDR2 (0.73) PTGDR2TDP1
SCHEMBL17897051 0.77 PTGDR2 (0.56) PTGDR2

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
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 WO disclosed