SCHEMBL3050706

SCHEMBL3050706

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CC(C(N)=O)C(=O)NC[C@@H](S)Cc2ccccc2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.33
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
RORC P51449 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
OXTR P30559 2/20 0.32
PLA2G10 O15496 1/20 0.32

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
SCHEMBL2969352 0.94 ALDH1A1 (0.35) EDNRARORC
SCHEMBL2976766 0.92 TBXA2R (0.35) EDNRAPTGER1PTGER3TBXA2RPTGER4
SCHEMBL3066934 0.90 ALOX5AP (0.33) EDNRARORC
SCHEMBL3060060 0.89 OPRM1 (0.37) PTGER1PTGER3TBXA2RPTGER4PTGFR
SCHEMBL2969407 0.88 ALDH1A1 (0.35) PTGER1PTGER3TBXA2RPTGER4PTGFR
SCHEMBL2970929 0.86 F10 (0.34) EDNRAPTGER1PTGER3RORCTBXA2R
SCHEMBL2978222 0.86 PSMB5 (0.33) EDNRAPTGER1PTGER3TBXA2RPTGER4
SCHEMBL3050703 0.84 TRPV1 (0.37) PTGER1PTGER3RORC
SCHEMBL3050707 0.83 CD274 (0.35) RORC
SCHEMBL2977806 0.82 FEN1 (0.33) PTGER1PTGER3TBXA2RPTGER4PTGFR

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 EDNRA 5/4885PTGER1 107/4885PTGER3 121/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 EDNRA 5/4885PTGER1 107/4885PTGER3 121/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 EDNRA 5/4885PTGER1 107/4885PTGER3 121/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 EDNRA 5/4885PTGER1 107/4885PTGER3 121/4885

“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.