SCHEMBL840059

SCHEMBL840059

CCCC(=O)N(CCC(=O)N(CCS)Cc1ccccc1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.48
AGTR1 P30556 5/20 0.48
LTB4R2 Q9NPC1 6/20 0.44
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL840356 0.92 AGTR2 (0.44) AGTR2AGTR1LTB4R2
SCHEMBL841494 0.91 AGTR1 (0.45) AGTR2AGTR1LTB4R2
SCHEMBL840247 0.88 AGTR2 (0.40) AGTR2AGTR1LTB4R2TBXA2RPTGER1
SCHEMBL2961418 0.87 LTB4R2 (0.44) AGTR2AGTR1LTB4R2
SCHEMBL2977354 0.87 AGTR2 (0.49) AGTR2AGTR1LTB4R2TBXA2RPTGER1
SCHEMBL2961421 0.86 AGTR1 (0.46) AGTR2AGTR1LTB4R2
SCHEMBL2961419 0.86 AGTR1 (0.46) AGTR2AGTR1LTB4R2
SCHEMBL840057 0.85 AGTR1 (0.46) AGTR2AGTR1LTB4R2
SCHEMBL840058 0.85 AGTR1 (0.46) AGTR2AGTR1LTB4R2
SCHEMBL2967086 0.84 AGTR1 (0.45) AGTR2AGTR1LTB4R2

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 AGTR2 3/4885AGTR1 1/4885LTB4R2 698/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR2 3/4885AGTR1 1/4885LTB4R2 698/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR2 3/4885AGTR1 2/4885LTB4R2 289/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR2 3/4885AGTR1 1/4885LTB4R2 698/4885

“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.