SCHEMBL841734

SCHEMBL841734

CCCC(=O)N(CCNC(=O)C(CS)Cc1ccccc1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
MME P08473 4/20 0.44
ACE P12821 3/20 0.44
LTB4R2 Q9NPC1 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ECE1 P42892 1/20 0.39
BLM P54132 1/20 0.39
NPEPPS P55786 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL841733 1.00 AGTR1 (0.46) AGTR1AGTR2MMEACELTB4R2
SCHEMBL859395 0.95 LTB4R2 (0.47) AGTR1AGTR2MMEACELTB4R2
SCHEMBL2961419 0.92 AGTR1 (0.46) AGTR1AGTR2MMEACELTB4R2
SCHEMBL2961421 0.92 AGTR1 (0.46) AGTR1AGTR2MMEACELTB4R2
SCHEMBL839281 0.92 AGTR1 (0.42) AGTR1AGTR2MMEACELTB4R2
SCHEMBL839282 0.92 AGTR1 (0.42) AGTR1AGTR2MMEACELTB4R2
SCHEMBL839970 0.90 AGTR1 (0.42) AGTR1AGTR2MMELTB4R2
SCHEMBL839460 0.90 AGTR1 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL839461 0.90 AGTR1 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL839440 0.90 AGTR1 (0.41) AGTR1AGTR2MMEACELTB4R2

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 AGTR1 1/4885AGTR2 3/4885MME 8/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885MME 8/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR1 2/4885AGTR2 3/4885MME 1/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885MME 8/4885

“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.