SCHEMBL2385002

SCHEMBL2385002

CC(C)(C)OC(=O)N(N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
APP P05067 1/20 0.44
AKT1 P31749 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
MME P08473 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
KMT2A Q03164 1/20 0.41
KLK5 Q9Y337 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6459262 1.00 ACE (0.49) ACEITGA4ITGB7CTSSCTSL
SCHEMBL2385485 0.92 ITGA4 (0.49) ACEITGA4ITGB7CTSSCTSL
SCHEMBL2904541 0.91 JAK2 (0.42) ACEITGA4ITGB7CTSSCTSL
SCHEMBL2386632 0.90 ITGA4 (0.45) ACEITGA4ITGB7CTSSCTSL
SCHEMBL5030051 0.90 ITGA4 (0.45) ACEITGA4ITGB7CTSSCTSL
SCHEMBL7389438 0.89 ITGA4 (0.55) ACEITGA4ITGB7CTSSAKT1
SCHEMBL2907748 0.88 GPR132 (0.51) ACEPPARGMMEACE2
SCHEMBL2388324 0.87 ATM (0.47) ACEITGA4ITGB7CTSSCTSL
SCHEMBL2385034 0.87 ITGA4 (0.45) ACEITGA4ITGB7CTSSCTSL
SCHEMBL2385950 0.87 ITGA4 (0.47) ACEITGA4ITGB7CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547893-B Method for collection of L-biphenylalanine compound salt, and method for collection of biphenylalanine ester compound using the same SUMITOMO CO LTD 2012-07-25 CN claimed
CN-101547893-A Method for collection of L-biphenylalanine compound salt, and method for collection of biphenylalanine ester compound using the same SUMITOMO CHEMICAL CO (JP) 2009-09-30 CN claimed
CN-101547893-B Method for collection of L-biphenylalanine compound salt, and method for collection of biphenylalanine ester compound using the same SUMITOMO CO LTD 2012-07-25 CN disclosed
US-8017378-B2 Method for production of optically active biphenylalanine compound or salt or ester thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 US disclosed
EP-1980622-B1 METHOD FOR PRODUCTION OF AN OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF SUMITOMO CHEMICAL CO (JP) 2010-08-18 EP disclosed
CN-101547893-A Method for collection of L-biphenylalanine compound salt, and method for collection of biphenylalanine ester compound using the same SUMITOMO CHEMICAL CO (JP) 2009-09-30 CN disclosed
US-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
WO-2008144728-A1 CONJUGATES WHICH BIND A BLOOD PROTEIN SUCH AS HUMAN SERUM ALBUMIN AND METHODS OF USING THE SAME IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2008-11-27 WO disclosed
EP-1980622-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-15 EP disclosed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
CN-1984928-A Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia AVANIR PHARMACEUTICALS (US) 2007-06-20 CN disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed
US-6613782-B2 For treating and/or preventing endothelin dependent conditions, e.g. cardio- and cerebro-vascular disorders such as hypertension, vasoconstriction, congestive heart failure, cerebral disorders, respiratory system disorders NOVARTIS AG (CH) 2003-09-02 US disclosed
US-6423727-B1 Certain thiol inhibitors of endothelin-converting enzyme NOVARTIS AG (CH) 2002-07-23 US disclosed
US-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme LOMBAERT STEPHANE DE (US) 2002-06-27 US disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO 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 (3 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 ACE 2658/4885ITGA4 2189/4885ITGB7 2872/4885
US-20090011475-A1 Method For Production of Optically Active Biphenylalanine Compound or Salt or Ester Thereof DNPEP, APEH, PAH ACE 31/4885ITGA4 4819/4885ITGB7 4625/4885
US-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB ACE 10/4885ITGA4 2567/4885ITGB7 3410/4885

“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.