SCHEMBL2970929

SCHEMBL2970929

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CC(C(N)=O)C(=O)NC[C@@H](S)C2CCCCC2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
TMPRSS2 O15393 1/20 0.34
PLAU P00749 1/20 0.34
TMPRSS6 Q8IU80 1/20 0.34
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA3 P07451 1/20 0.33
MME P08473 2/20 0.33

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
SCHEMBL2971328 0.92 F10 (0.34) F10ST14TMPRSS2PLAUTMPRSS6
SCHEMBL2977347 0.89 MME (0.39) F10AGTR1AGTR2MMEACE
SCHEMBL3050706 0.86 EDNRA (0.33) RORCEDNRATBXA2RPTGER1PTGER4
SCHEMBL2969352 0.84 ALDH1A1 (0.35) F10ST14RORCEDNRA
SCHEMBL2970924 0.84 LMNA (0.36) AGTR1AGTR2CA12CA1CA2
SCHEMBL2970931 0.83 RXFP1 (0.35) AGTR1AGTR2RORCPOLBHRH1
SCHEMBL2968408 0.81 ALOX5AP (0.40)
SCHEMBL3066934 0.81 ALOX5AP (0.33) RORCEDNRA
SCHEMBL2976213 0.80 OXTR (0.37) F10ST14TMPRSS2PLAUTMPRSS6
SCHEMBL2976766 0.79 TBXA2R (0.35) CA12CA1CA2CA9ACE

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 F10 1377/4885ST14 1576/4885TMPRSS2 279/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 F10 1377/4885ST14 1576/4885TMPRSS2 279/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 F10 1377/4885ST14 1576/4885TMPRSS2 279/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 F10 2980/4885ST14 1668/4885TMPRSS2 137/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 F10 1377/4885ST14 1576/4885TMPRSS2 279/4885

“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.