SCHEMBL2967077

SCHEMBL2967077

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)[C@@H](CS)C2CCCCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.39
FEN1 P39748 6/20 0.39
BDKRB1 P46663 7/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35

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
SCHEMBL2967082 0.90 ALOX5AP (0.40) ALOX5APFEN1BDKRB1OPRM1OPRK1
SCHEMBL2976182 0.87 OPRM1 (0.42) OPRM1OPRK1AGTR1AGTR2
SCHEMBL2968406 0.83 BDKRB1 (0.41) ALOX5APFEN1BDKRB1OPRM1OPRK1
SCHEMBL2963467 0.82 BDKRB1 (0.40) ALOX5APFEN1BDKRB1OPRM1OPRK1
SCHEMBL2967079 0.82 ALOX5AP (0.40) ALOX5APFEN1OPRM1OPRK1
SCHEMBL2971428 0.82 MME (0.43) ALOX5APFEN1BDKRB1AGTR1
SCHEMBL2970178 0.82 BDKRB1 (0.41) ALOX5APFEN1BDKRB1AGTR1AGTR2
SCHEMBL841056 0.81 AGTR1 (0.37) ALOX5APFEN1AGTR1AGTR2
SCHEMBL841055 0.81 AGTR1 (0.37) ALOX5APFEN1AGTR1AGTR2
SCHEMBL2976209 0.81 MMP1 (0.34) AGTR1AGTR2

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 8 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
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 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 (5 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 ALOX5AP 2881/4885FEN1 4476/4885BDKRB1 35/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885BDKRB1 35/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885BDKRB1 35/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 ALOX5AP 1078/4885FEN1 4738/4885BDKRB1 54/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885BDKRB1 35/4885

“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.