SCHEMBL489274

SCHEMBL489274

CC(C)[C@H](N[C@@H](CNC(=O)[C@H](CCCCN)NS(C)(=O)=O)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.66
MME P08473 3/20 0.66
ECE1 P42892 2/20 0.66
NPPA P01160 1/20 0.66
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CHRND Q07001 6/20 0.42
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPY4R P50391 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
F2 P00734 1/20 0.40
GRIA1 P42261 2/20 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
SCHEMBL17435234 1.00 ACE (0.66) ACEMMEECE1NPPAITGB3
SCHEMBL13097861 1.00 ACE (0.66) ACEMMEECE1NPPAITGB3
SCHEMBL25429910 1.00 ACE (0.66) ACEMMEECE1NPPAITGB3
SCHEMBL489272 1.00 ACE (0.66) ACEMMEECE1NPPAITGB3
SCHEMBL13204385 0.83 MME (0.48) ACEMMEECE1NPPAITGB3
Sampatrilat SCHEMBL49066 0.79 ECE1 (1.00) ACEMMEECE1NPPAITGB3
Sampatrilat SCHEMBL4567110 0.79 ECE1 (1.00) ACEMMEECE1NPPAITGB3
Sampatrilat SCHEMBL7301333 0.79 ECE1 (1.00) ACEMMEECE1NPPAITGB3
SCHEMBL7294367 0.75 ACE (0.91) ACEMMEECE1NPPAITGB3
SCHEMBL30578955 0.75 LNPEP (0.58) NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351561-B2 Crystalline (2S,4R)-5-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof THERAVANCE BIOPHARMA R&D IP, LLC (US) 2025-07-08 US disclosed
US-20240327360-A1 CRYSTALLINE (2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-10-03 US disclosed
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-11919888-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-03-05 US disclosed
US-11851443-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-12-26 US disclosed
US-20230312537-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-05 US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 US disclosed
US-11718591-B2 Crystalline (2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2- methylpentanoic acid and uses thereof THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-08 US disclosed
US-11642332-B2 (2R,4R)-5-(5′-chloro-2′-fluorobiphenyl-4-yl)-2-hydroxy-4-[(5-methyloxazole-2-carbonyl)amino]pentanoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-05-09 US disclosed
US-11634413-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-04-25 US disclosed
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 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-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
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 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
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 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 (19 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 ACE 6/4885MME 5/4885ECE1 34/4885
US-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ACE 3/4885MME 1/4885ECE1 16/4885
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 ACE 7/4885MME 4/4885ECE1 17/4885
US-11718591-B2 Crystalline (2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2- methylpentanoic acid and uses thereof MME, CTSC, REN ACE 4/4885MME 1/4885ECE1 81/4885
US-12351561-B2 Crystalline (2S,4R)-5-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof MME, CTSC, REN ACE 4/4885MME 1/4885ECE1 81/4885
US-20240327360-A1 CRYSTALLINE (2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF MME, CTSC, REN ACE 4/4885MME 1/4885ECE1 81/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACE 6/4885MME 5/4885ECE1 34/4885
US-20100081697-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID FFAR1, FFAR3, FFAR2 ACE 23/4885MME 688/4885ECE1 272/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN ACE 6/4885MME 13/4885ECE1 26/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ACE 4/4885MME 5/4885ECE1 21/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 ACE 10/4885MME 1/4885ECE1 39/4885
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 ACE 11/4885MME 4/4885ECE1 10/4885
US-11634413-B2 Neprilysin inhibitors MME, REN, ACE ACE 3/4885MME 1/4885ECE1 10/4885
US-20230312537-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ACE 3/4885MME 1/4885ECE1 10/4885
US-11851443-B2 Neprilysin inhibitors MME, REN, ACE ACE 3/4885MME 1/4885ECE1 12/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE ACE 3/4885MME 1/4885ECE1 16/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 ACE 7/4885MME 6/4885ECE1 21/4885
US-11642332-B2 (2R,4R)-5-(5′-chloro-2′-fluorobiphenyl-4-yl)-2-hydroxy-4-[(5-methyloxazole-2-carbonyl)amino]pentanoic acid MME, DNPEP, TMPRSS15 ACE 5/4885MME 1/4885ECE1 156/4885
US-11919888-B2 Neprilysin inhibitors MME, REN, ACE ACE 3/4885MME 1/4885ECE1 10/4885

“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.