SCHEMBL839302

SCHEMBL839302

CCC(=O)N(CCNC(=O)[C@@H](S)Cc1ccccc1)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.37
AGTR1 P30556 8/20 0.37
REN P00797 1/20 0.36
MME P08473 3/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AGTR2 P50052 1/20 0.33
ABCB11 O95342 1/20 0.33
GP6 Q9HCN6 1/20 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
SCHEMBL839303 1.00 LTB4R2 (0.37) LTB4R2AGTR1RENMMEACE
SCHEMBL840147 0.91 MME (0.42) LTB4R2AGTR1MMEACEALDH1A1
SCHEMBL839955 0.89 MMP8 (0.43) LTB4R2AGTR1MME
SCHEMBL841114 0.89 MEN1 (0.42) RENMMEACECPA1ACE2
SCHEMBL840633 0.87 AGTR1 (0.37) LTB4R2AGTR1RENALDH1A1NPSR1
SCHEMBL840776 0.87 AGTR1 (0.37) LTB4R2AGTR1RENALDH1A1NPSR1
SCHEMBL839267 0.85 MME (0.43) LTB4R2AGTR1MMEACEALDH1A1
SCHEMBL839266 0.85 MME (0.43) LTB4R2AGTR1MMEACEALDH1A1
SCHEMBL840469 0.85 AGTR1 (0.40) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL840237 0.85 AGTR1 (0.40) LTB4R2AGTR1AGTR2ABCB11GP6

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-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 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-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885REN 2/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885REN 2/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 LTB4R2 289/4885AGTR1 2/4885REN 4/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885REN 2/4885

“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.