SCHEMBL2970023

SCHEMBL2970023

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)[C@@H](CS)Cc2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.41
AGTR1 P30556 2/20 0.41
ALDH1A1 P00352 2/20 0.39
ACE P12821 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ECE1 P42892 1/20 0.39
BLM P54132 1/20 0.39
NPEPPS P55786 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
GID4 Q8IVV7 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL2973093 0.91 MME (0.48) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL2976588 0.91 F2 (0.38) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL2970026 0.89 OPRM1 (0.41) MMEAGTR1ACE
SCHEMBL2977937 0.89 BDKRB1 (0.38) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL2977229 0.84 MME (0.44) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL3054813 0.84 ALDH1A1 (0.39) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL2979118 0.83 F2 (0.37) MMEAGTR1ALDH1A1ACEKMT2A
SCHEMBL2969405 0.83 PLA2G1B (0.40) AGTR1ALDH1A1PLA2G1BHTTL3MBTL1
SCHEMBL2970024 0.82 MME (0.43) MMEACE
SCHEMBL2965877 0.82 OPRM1 (0.42) MMEAGTR1ACEKMT2AMEN1

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 MME 8/4885AGTR1 1/4885ALDH1A1 1623/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885AGTR1 1/4885ALDH1A1 1623/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885AGTR1 1/4885ALDH1A1 1623/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 MME 1/4885AGTR1 2/4885ALDH1A1 1325/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885AGTR1 1/4885ALDH1A1 1623/4885

“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.