SCHEMBL3623638

SCHEMBL3623638

NC(=O)CCCNC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.72
ACE P12821 3/20 0.72
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
ECE1 P42892 1/20 0.63
BLM P54132 1/20 0.63
NPEPPS P55786 1/20 0.63
KMT2A Q03164 1/20 0.63
CPA3 P15088 1/20 0.54
FOLH1 Q04609 1/20 0.54

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
SCHEMBL7281509 0.96 MME (0.71) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271591 0.90 MME (0.84) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3623644 0.86 MME (0.68) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3631586 0.86 MME (0.82) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7273423 0.85 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7280386 0.85 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9068900 0.85 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL387085 0.85 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL4442572 0.84 MME (0.74) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29494162 0.84 MME (1.00) MMEACEALDH1A1HPGDMAPK1

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 22 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-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-01-23 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
EP-2146963-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-01-27 EP disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO 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-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 7/4885ALDH1A1 1885/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885ALDH1A1 1770/4885
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885ALDH1A1 3202/4885
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885ALDH1A1 1770/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885ALDH1A1 3202/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN MME 13/4885ACE 6/4885ALDH1A1 1809/4885
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 13/4885ACE 6/4885ALDH1A1 1770/4885
US-20120264752-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885ALDH1A1 3202/4885
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885ACE 6/4885ALDH1A1 3202/4885

“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.