SCHEMBL4091138

SCHEMBL4091138

CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.73
PTGER2 P43116 4/20 0.47
ALDH1A1 P00352 1/20 0.39
PTGDR Q13258 3/20 0.38
MAPT P10636 1/20 0.38
USP36 Q9P275 1/20 0.38
PDE2A O00408 1/20 0.37

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
SCHEMBL2355901 0.85 PTGER4 (1.00) PTGER4PTGER2ALDH1A1PTGDR
SCHEMBL2351632 0.81 PTGER4 (1.00) PTGER4PTGER2PTGDR
SCHEMBL4090073 0.79 PTGER4 (0.76) PTGER4PTGER2ALDH1A1PTGDRMAPT
SCHEMBL4089584 0.79 PTGER4 (0.82) PTGER4PTGER2PTGDR
SCHEMBL14448600 0.67 MMP13 (0.37) PTGER4PDE2A
SCHEMBL4088746 0.67 PTGER4 (0.61) PTGER4PTGER2MAPT
SCHEMBL14448515 0.67 MAPT (0.44) PTGER4MAPTPDE2A
SCHEMBL14448516 0.67 MAPT (0.44) PTGER4MAPTPDE2A
SCHEMBL14448578 0.67 MMP13 (0.46) PDE2A
SCHEMBL14448582 0.67 MMP13 (0.46) PDE2A

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
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
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US 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 (1 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-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885ALDH1A1 1364/4885

“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.