SCHEMBL4445753

SCHEMBL4445753

NC(=O)CCCNC(=O)[C@H](S)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.52
ACE P12821 4/20 0.49
LAP3 P28838 1/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL4445755 0.85 CHRNA1 (0.55) MMELAP3
SCHEMBL3623638 0.83 MME (0.72) MMEACE
SCHEMBL7281509 0.79 MME (0.71) MMEACE
SCHEMBL11805463 0.78 ACE (0.69) MMEACECPA1ACE2
SCHEMBL7561359 0.77 CYP3A4 (0.65) LAP3
SCHEMBL7102259 0.76 MMP8 (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7102264 0.76 MMP8 (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7865260 0.75 LTA4H (0.68) MMEACE
SCHEMBL18381240 0.75 LTA4H (0.68) MMEACE
SCHEMBL7098126 0.74 MME (0.53) MMEACECPA1ACE2

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 20 patents. 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-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-01-23 US disclosed
US-8569351-B2 Dual-acting benzyl triazole antihypertensive agents having angiotensin II type receptor antagonist activity and neprilysin-inhibition activity THERAVANCE, INC. (US) 2013-10-29 US disclosed
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 US disclosed
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-04-18 US disclosed
US-8349875-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 US disclosed
US-8344013-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-01 US disclosed
US-20120264752-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-18 US disclosed
US-8236846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-06-28 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 (10 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-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 4/4885ACE 7/4885LAP3 64/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885LAP3 225/4885
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885LAP3 341/4885
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885LAP3 225/4885
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885LAP3 225/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885LAP3 341/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN MME 13/4885ACE 6/4885LAP3 223/4885
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885LAP3 225/4885
US-20120264752-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885LAP3 341/4885
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885LAP3 341/4885

“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.