Sugi Predict

Sugi Predict / Compounds / SCHEMBL2967732

SCHEMBL2967732

SCHEMBL2967732

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CC(=O)NC[C@H](S)Cc2ccccc2F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 16/20 0.44
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ AGTR1 P30556 1/20 0.37
▸ AGTR2 P50052 1/20 0.37

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
SCHEMBL2967736 0.90 BDKRB1 (0.40) BDKRB1ALOX5APFEN1AGTR1AGTR2
SCHEMBL2974140 0.90 LMNA (0.40) ALOX5APFEN1AGTR1AGTR2
SCHEMBL2975550 0.87 BDKRB1 (0.41) BDKRB1ALOX5APFEN1AGTR1AGTR2
SCHEMBL2967734 0.86 ALOX5AP (0.40) BDKRB1ALOX5APFEN1
SCHEMBL2968406 0.83 BDKRB1 (0.41) BDKRB1ALOX5APFEN1AGTR1AGTR2
SCHEMBL3066933 0.83 CNR1 (0.37) —
SCHEMBL2970178 0.83 BDKRB1 (0.41) BDKRB1ALOX5APFEN1AGTR1AGTR2
SCHEMBL2975485 0.82 BDKRB1 (0.44) BDKRB1ALOX5APFEN1AGTR1AGTR2
SCHEMBL2974146 0.82 OPRM1 (0.41) ALOX5APFEN1AGTR1AGTR2
SCHEMBL2967053 0.79 ALOX5AP (0.42) BDKRB1ALOX5APFEN1AGTR1AGTR2

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 BDKRB1 35/4885ALOX5AP 2881/4885FEN1 4476/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885ALOX5AP 2881/4885FEN1 4476/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885ALOX5AP 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 BDKRB1 54/4885ALOX5AP 1078/4885FEN1 4738/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 BDKRB1 35/4885ALOX5AP 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.