SCHEMBL2969472

SCHEMBL2969472

C[C@H](O)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)NC[C@H](S)C2CCCCC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.37
FEN1 P39748 15/20 0.37
PSMB8 P28062 2/20 0.37
PSMB5 P28074 2/20 0.37
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL2976553 0.88 SMN1; SMN2 (0.40) AGTR1AGTR2
SCHEMBL2969476 0.88 BDKRB1 (0.40) ALOX5APFEN1AGTR1AGTR2
SCHEMBL2977291 0.86 ALOX5AP (0.38) ALOX5APFEN1PSMB8PSMB5AGTR1
SCHEMBL2963464 0.85 PSMB8 (0.40) ALOX5APFEN1PSMB8PSMB5AGTR1
SCHEMBL2975484 0.84 ALOX5AP (0.37) ALOX5APFEN1PSMB8PSMB5AGTR1
SCHEMBL2976148 0.83 GCG (0.36) ALOX5APFEN1PSMB8PSMB5AGTR1
SCHEMBL2976557 0.82 OPRM1 (0.44) AGTR1AGTR2
SCHEMBL16344333 0.82 SMN1; SMN2 (0.34)
SCHEMBL2968413 0.79 OPRM1 (0.39) ALOX5APFEN1AGTR1AGTR2
SCHEMBL2961413 0.77 AGTR1 (0.42) 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 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 ALOX5AP 2881/4885FEN1 4476/4885PSMB8 795/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885PSMB8 795/4885
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 4738/4885PSMB8 474/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885PSMB8 795/4885

“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.