SCHEMBL2976185

SCHEMBL2976185

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CC(NC(=O)[C@@H](CS)C2CCCCC2)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.44
ACE P12821 4/20 0.44
CPA1 P15085 4/20 0.44
ACE2 Q9BYF1 4/20 0.44
FCER2 P06734 2/20 0.39
MMP1 P03956 1/20 0.39
ITGB1 P05556 4/20 0.39
ITGA4 P13612 4/20 0.39
ITGB7 P26010 3/20 0.39
VHL P40337 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
F10 P00742 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL2976213 0.88 OXTR (0.37) MMEACECPA1ACE2FCER2
SCHEMBL2967079 0.87 ALOX5AP (0.40) OPRM1OPRK1
SCHEMBL2973094 0.83 MME (0.52) MMEACEFCER2
SCHEMBL2976187 0.81 OPRM1 (0.45) AGTR1AGTR2OPRM1OPRK1SCN9A
SCHEMBL2976182 0.81 OPRM1 (0.42) FCER2MMP1AGTR1AGTR2OPRM1
SCHEMBL2973536 0.80 FCER2 (0.38) MMEACECPA1ACE2FCER2
SCHEMBL3054815 0.80 MME (0.40) MMEACEFCER2
SCHEMBL2977347 0.79 MME (0.39) MMEACECPA1ACE2ITGB1
SCHEMBL2970024 0.77 MME (0.43) MMEACEFCER2
SCHEMBL839280 0.76 AGTR1 (0.41) AGTR1AGTR2OPRM1OPRK1

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 8/4885ACE 7/4885CPA1 285/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885ACE 7/4885CPA1 285/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885ACE 7/4885CPA1 285/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 MME 1/4885ACE 10/4885CPA1 302/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 8/4885ACE 7/4885CPA1 285/4885

“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.