SCHEMBL1100735

SCHEMBL1100735

CCOc1nc(CC)c(CNC(=O)C(CC(C)C)SC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.68
MME P08473 11/20 0.68
AGTR2 P50052 8/20 0.68
ECE1 P42892 1/20 0.68
BDKRB1 P46663 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
SCHEMBL1100730 1.00 AGTR1 (0.68) AGTR1MMEAGTR2ECE1BDKRB1
SCHEMBL1256613 1.00 AGTR1 (0.68) AGTR1MMEAGTR2ECE1BDKRB1
SCHEMBL1257926 0.95 AGTR1 (0.61) AGTR1MMEAGTR2ECE1
SCHEMBL1257929 0.95 AGTR1 (0.61) AGTR1MMEAGTR2ECE1
SCHEMBL1258980 0.93 AGTR1 (0.71) AGTR1MMEAGTR2ECE1BDKRB1
SCHEMBL1258978 0.93 AGTR1 (0.71) AGTR1MMEAGTR2ECE1BDKRB1
SCHEMBL1258819 0.91 MME (0.81) AGTR1MMEAGTR2ECE1
SCHEMBL1099412 0.91 MME (0.81) AGTR1MMEAGTR2ECE1
SCHEMBL1099415 0.91 MME (0.81) AGTR1MMEAGTR2ECE1
SCHEMBL1258461 0.91 AGTR1 (0.70) AGTR1MMEAGTR2ECE1BDKRB1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-9012485-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-05 US disclosed
EP-2146963-B1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R & D IP LLC (US) 2014-12-17 EP disclosed
US-8895755-B2 Intermediates for preparing dual-acting benzyl triazole antihypertensive agents having angiotensin II type I receptor antagonist activity and neprilysin-inhibition activity THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-25 US disclosed
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-09 US disclosed
US-8664254-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-8637562-B2 Methods for detecting sulfhydryl-containing compounds in a biological test sample THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-20110224272-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE, INC. (US) 2011-09-15 US disclosed
US-8013005-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-04-21 US disclosed
US-7879896-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2011-02-01 US disclosed
US-7855221-B2 Crystalline form of an alkoxyimidazol-1-ylmethyl biphenyl carboxylic acid THERAVANCE, INC. (US) 2010-12-21 US disclosed
US-20100099134-A1 METHODS FOR DETECTING SULFHYDRYL-CONTAINING COMPOUNDS IN A BIOLOGICAL TEST SAMPLE THERAVANCE BIOPHARMA R&D IP, LLC 2010-04-22 US disclosed
US-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE BIOPHARMA R&D IP, LLC 2010-04-01 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 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 (9 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-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 13/4885AGTR2 2/4885
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 AGTR1 3/4885MME 4/4885AGTR2 1/4885
US-20110224272-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID FFAR1, FFAR3, FFAR2 AGTR1 10/4885MME 688/4885AGTR2 19/4885
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 5/4885AGTR2 2/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 13/4885AGTR2 2/4885
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 13/4885AGTR2 2/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 5/4885AGTR2 2/4885
US-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID FFAR1, FFAR3, FFAR2 AGTR1 10/4885MME 688/4885AGTR2 19/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN AGTR1 1/4885MME 13/4885AGTR2 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.