SCHEMBL4090366

SCHEMBL4090366

COC(=O)c1ccc(C2(NC(=O)c3c(C)sc(C)c3Cc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.83
PTGER2 P43116 4/20 0.83
PDE2A O00408 4/20 0.45
PTGDR Q13258 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGFR P43088 1/20 0.41
PTGER3 P43115 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
SCHEMBL13210500 0.91 PTGER4 (0.86) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL2351863 0.91 PTGER4 (1.00) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL4085052 0.90 PTGER4 (0.98) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL3019807 0.90 PTGER4 (0.75) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL4085048 0.89 PTGER4 (0.83) PTGER4PTGER2PDE2APTGDRTBXA2R
Diethylamine SCHEMBL3019803 0.86 PTGER4 (0.91) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL28263352 0.85 PTGER4 (0.74) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL4085074 0.85 PTGER4 (0.77) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL14301888 0.84 PTGER4 (0.75) PTGER4PTGER2PDE2APTGDRTBXA2R
Formic Acid SCHEMBL28263353 0.84 PTGER4 (0.78) PTGER4PTGER2PDE2APTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
EP-2054401-B1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC (CA) 2013-05-01 EP disclosed
EP-2054401-B1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC (CA) 2013-05-01 EP disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
EP-2054401-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS Merck Frosst Canada Ltd. (CA) 2009-05-06 EP disclosed
WO-2009020588-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVE MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES PTGER4, P2RY4, PTGES2 PTGER4 1/4885PTGER2 7/4885PDE2A 1214/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885PDE2A 653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.