SCHEMBL2392191

SCHEMBL2392191

CCCn1nc(C(=O)NC(CS)CC(C)C)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.48
MME P08473 14/20 0.48
ECE1 P42892 1/20 0.44
AGTR2 P50052 1/20 0.44
PPARG P37231 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL652998 0.80 MME (0.49) AGTR1MMEECE1AGTR2PPARG
SCHEMBL1927466 0.80 MME (0.49) AGTR1MMEECE1AGTR2PPARG
SCHEMBL2390358 0.80 AGTR1 (0.48) AGTR1MMEECE1AGTR2PPARG
SCHEMBL652748 0.79 AGTR1 (0.48) AGTR1MMEECE1AGTR2LTB4R2
SCHEMBL1258883 0.76 AGTR1 (0.51) AGTR1MMEECE1AGTR2
SCHEMBL4878857 0.75 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL2393132 0.74 AGTR1 (0.37) AGTR1MMEPPARG
SCHEMBL2391209 0.74
SCHEMBL2392589 0.71 AGTR1 (0.41) AGTR1MMEPPARG
SCHEMBL651920 0.71 MME (0.48) AGTR1MMEECE1AGTR2PPARG

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-8865755-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-21 US disclosed
US-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-08-15 US disclosed
US-8338418-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-08-23 US disclosed
US-8080572-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-09-22 US disclosed
US-7863309-B2 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE, INC. (US) 2011-01-04 US disclosed
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 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-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885MME 6/4885ECE1 19/4885
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885MME 6/4885ECE1 19/4885
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents AGTR1, REN, AGTR2 AGTR1 1/4885MME 4/4885ECE1 10/4885
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885MME 6/4885ECE1 19/4885

“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.