SCHEMBL2977937

SCHEMBL2977937

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)[C@@H](CS)Cc2cccc(Cl)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.38
MME P08473 4/20 0.36
AGTR1 P30556 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ACE P12821 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ECE1 P42892 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
AGTR2 P50052 2/20 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
SCHEMBL2971428 0.92 MME (0.43) BDKRB1MMEAGTR1ALDH1A1ACE
SCHEMBL2977939 0.90 ALOX5AP (0.39) BDKRB1MMEAGTR1ACEALOX5AP
SCHEMBL2970023 0.89 MME (0.41) MMEAGTR1ALDH1A1ACEHPGD
SCHEMBL2970178 0.88 BDKRB1 (0.41) BDKRB1AGTR1ALOX5APFEN1AGTR2
SCHEMBL2975550 0.84 BDKRB1 (0.41) BDKRB1AGTR1ALOX5APFEN1AGTR2
SCHEMBL2977938 0.84 ALOX5AP (0.38) MMEALOX5APFEN1
SCHEMBL2976588 0.83 F2 (0.38) MMEAGTR1ALDH1A1ACEHPGD
SCHEMBL2977897 0.83 BDKRB1 (0.40) BDKRB1MMEAGTR1ALOX5APFEN1
SCHEMBL2971435 0.83 MME (0.42) MMEAGTR1ALDH1A1ACEHPGD
SCHEMBL841636 0.82 AGTR1 (0.38) AGTR1ALOX5APFEN1AGTR2

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 10 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
EP-2132187-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2009-12-16 EP disclosed
WO-2008097459-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-08-14 WO 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 BDKRB1 35/4885MME 8/4885AGTR1 1/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885MME 8/4885AGTR1 1/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885MME 8/4885AGTR1 1/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 BDKRB1 54/4885MME 1/4885AGTR1 2/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885MME 8/4885AGTR1 1/4885

“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.