SCHEMBL2977894

SCHEMBL2977894

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.37
PSMB5 P28074 3/20 0.37
MAPK1 P28482 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CTSB P07858 1/20 0.35
CHRM4 P08173 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 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
SCHEMBL2976611 0.92 MME (0.42) MAPK1MEN1KMT2AALOX5APFEN1
SCHEMBL2977897 0.90 BDKRB1 (0.40) AGTR1AGTR2ALOX5APFEN1MME
SCHEMBL2965874 0.88 CTSB (0.38) MEN1KMT2AAGTR2CTSBMME
SCHEMBL2977697 0.87 PSMB8 (0.39) PSMB8PSMB5MAPK1AGTR1AGTR2
SCHEMBL2965877 0.86 OPRM1 (0.42) MEN1KMT2AAGTR1AGTR2MME
SCHEMBL2976148 0.86 GCG (0.36) PSMB8PSMB5MAPK1KMT2AAGTR1
SCHEMBL840970 0.83 AGTR1 (0.39) MEN1KMT2AAGTR1AGTR2
SCHEMBL840969 0.83 AGTR1 (0.39) MEN1KMT2AAGTR1AGTR2
SCHEMBL2976613 0.82 BDKRB1 (0.41) MAPK1MEN1KMT2AAGTR1AGTR2
SCHEMBL2977939 0.82 ALOX5AP (0.39) AGTR1AGTR2ALOX5APFEN1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 PSMB8 795/4885PSMB5 369/4885MAPK1 1431/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PSMB8 795/4885PSMB5 369/4885MAPK1 1431/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 PSMB8 474/4885PSMB5 124/4885MAPK1 1940/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PSMB8 795/4885PSMB5 369/4885MAPK1 1431/4885

“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.