SCHEMBL196279

SCHEMBL196279

CCC(NC(=O)c1csc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.57
PTGDR Q13258 5/20 0.57
TBXA2R P21731 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PPARG P37231 3/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL1952950 0.90 PTGER4 (0.71) PTGER4PTGDRPTGER3PTGER2
SCHEMBL1844419 0.90 PTGER4 (0.71) PTGER4PTGDRPTGER3PTGER2
SCHEMBL196278 0.83 PTGER4 (0.51) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL13492636 0.83 MMP13 (0.51) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL1844421 0.81 PTGER4 (0.48) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL1845535 0.79 KDM4E (0.45) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28482882 0.78 PTGER4 (0.58) PTGER4PTGDRPTGER2
SCHEMBL1955609 0.78 PTGER4 (0.58) PTGER4PTGDRPTGER2
SCHEMBL26951177 0.78 PTGER4 (0.55) PTGER4PTGDRPTGER2
SCHEMBL12571984 0.78 PTGER4 (0.56) PTGER4PTGDRPTGER2

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
JP-2012500211-A 2012-01-05 JP claimed
EP-2320906-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Beta Pharma Canada Inc. (CA) 2011-05-18 EP claimed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO claimed