SCHEMBL2976148

SCHEMBL2976148

C[C@H](O)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)NC[C@H](S)Cc2cccc(Cl)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCG P01275 3/20 0.36
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
CTSB P07858 1/20 0.34
CHRM4 P08173 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
BDKRB1 P46663 2/20 0.33
MAPK1 P28482 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
SCHEMBL2977291 0.93 ALOX5AP (0.38) ALOX5APFEN1AGTR1AGTR2PSMB8
SCHEMBL2970332 0.90 F10 (0.37) GCGAGTR2CTSBKMT2ARXFP1
SCHEMBL2976153 0.89 BDKRB1 (0.41) ALOX5APFEN1AGTR1AGTR2BDKRB1
SCHEMBL2975484 0.88 ALOX5AP (0.37) ALOX5APFEN1AGTR1AGTR2PSMB8
SCHEMBL2977894 0.86 PSMB8 (0.37) ALOX5APFEN1AGTR1AGTR2PSMB8
SCHEMBL2970341 0.86 OPRM1 (0.41) AGTR1AGTR2KMT2ARXFP1
SCHEMBL841092 0.83 AGTR1 (0.38) AGTR1AGTR2BDKRB1
SCHEMBL841093 0.83 AGTR1 (0.38) AGTR1AGTR2BDKRB1
SCHEMBL2969472 0.83 ALOX5AP (0.37) ALOX5APFEN1AGTR1AGTR2PSMB8
SCHEMBL2977293 0.82 BDKRB1 (0.42) ALOX5APFEN1AGTR1AGTR2BDKRB1

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 GCG 827/4885ALOX5AP 2881/4885FEN1 4476/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 GCG 827/4885ALOX5AP 2881/4885FEN1 4476/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 GCG 827/4885ALOX5AP 2881/4885FEN1 4476/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 GCG 1055/4885ALOX5AP 1078/4885FEN1 4738/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 GCG 827/4885ALOX5AP 2881/4885FEN1 4476/4885

“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.