SCHEMBL3060060

SCHEMBL3060060

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CC(C(N)=O)C(=O)NC[C@@H](S)Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
PTGER1 P34995 2/20 0.37
PTGER3 P43115 2/20 0.37
TBXA2R P21731 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGFR P43088 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
SCN9A Q15858 1/20 0.37
F10 P00742 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL2969407 0.92 ALDH1A1 (0.35) PTGER1PTGER3TBXA2RPTGER4PTGFR
SCHEMBL2974143 0.89 ALOX5AP (0.36) OPRM1OPRK1PTGER1PTGER3TBXA2R
SCHEMBL3050706 0.89 EDNRA (0.33) PTGER1PTGER3TBXA2RPTGER4PTGFR
SCHEMBL2977347 0.86 MME (0.39) OPRM1OPRK1SCN9AF10AGTR1
SCHEMBL3060059 0.84 OPRM1 (0.42) OPRM1OPRK1PTGER1PTGER3SCN9A
SCHEMBL2969352 0.83 ALDH1A1 (0.35) F10
SCHEMBL3060063 0.81 OPRM1 (0.44) OPRM1OPRK1PTGER1PTGER3PTGER4
SCHEMBL2975552 0.81 ALOX5AP (0.37) F10AGTR1AGTR2
SCHEMBL2976766 0.80 TBXA2R (0.35) PTGER1PTGER3TBXA2RPTGER4PTGFR
SCHEMBL2967734 0.80 ALOX5AP (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 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 (4 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885

“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.