SCHEMBL1099412

SCHEMBL1099412

CCOc1nc(CC)c(CNC(=O)[C@H](CC(C)C)SC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1F

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.81
AGTR1 P30556 20/20 0.81
ECE1 P42892 1/20 0.81
AGTR2 P50052 1/20 0.81

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
SCHEMBL1099415 1.00 MME (0.81) MMEAGTR1ECE1AGTR2
SCHEMBL1258819 1.00 MME (0.81) MMEAGTR1ECE1AGTR2
SCHEMBL1258552 0.94 MME (0.72) MMEAGTR1ECE1AGTR2
SCHEMBL1257577 0.94 MME (0.79) MMEAGTR1ECE1AGTR2
SCHEMBL1258549 0.94 MME (0.72) MMEAGTR1ECE1AGTR2
SCHEMBL1257583 0.94 MME (0.79) MMEAGTR1ECE1AGTR2
SCHEMBL1258151 0.94 AGTR1 (0.78) MMEAGTR1ECE1AGTR2
SCHEMBL1258155 0.94 AGTR1 (0.78) MMEAGTR1ECE1AGTR2
SCHEMBL1258980 0.94 AGTR1 (0.71) MMEAGTR1ECE1AGTR2
SCHEMBL1258978 0.94 AGTR1 (0.71) MMEAGTR1ECE1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP claimed
US-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-05 US claimed
EP-2350019-B1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE INC (US) 2013-07-24 EP claimed
EP-2350019-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID Theravance, Inc. (US) 2011-08-03 EP claimed
US-20110077411-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-03-31 US claimed
US-7855221-B2 Crystalline form of an alkoxyimidazol-1-ylmethyl biphenyl carboxylic acid THERAVANCE, INC. (US) 2010-12-21 US claimed
WO-2010039719-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE, INC. (US) 2010-04-08 WO claimed
US-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE BIOPHARMA R&D IP, LLC 2010-04-01 US claimed
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9221763-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-29 US disclosed
US-9221763-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-29 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
WO-2010039719-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE, INC. (US) 2010-04-08 WO 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-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE BIOPHARMA R&D IP, LLC 2010-04-01 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 (5 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-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 MME 3622/4885AGTR1 729/4885ECE1 2696/4885
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 MME 4/4885AGTR1 3/4885ECE1 17/4885
US-20110077411-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 MME 3622/4885AGTR1 729/4885ECE1 2696/4885
US-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID FFAR1, FFAR3, FFAR2 MME 688/4885AGTR1 10/4885ECE1 272/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN MME 13/4885AGTR1 1/4885ECE1 26/4885

“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.