SCHEMBL1666820

SCHEMBL1666820

NCC(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.42
ITGB3 P05106 7/20 0.37
ITGA2B P08514 7/20 0.37
CPB2 Q96IY4 6/20 0.36
CPB1 P15086 1/20 0.36
CTSC P53634 2/20 0.34
PIN1 Q13526 1/20 0.34
P2RY14 Q15391 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL483799 1.00 SLC15A2 (0.42) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL4588249 0.99 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL2811067 0.99 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
Hydrochloric Acid SCHEMBL2199717 0.99 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
Hydrochloric Acid SCHEMBL1436163 0.99 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL30954680 0.99 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL29590566 0.95 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL20783813 0.95 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL31453803 0.95 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL29888249 0.91 SLC15A2 (0.44) SLC15A2ITGB3ITGA2BCPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573895-B Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2020-11-24 CN claimed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 CN claimed
EP-2793828-B1 MOISTURIZING COMPOSITION COMPRISING AN AMINOPEPTIDE MIXTURE UNILEVER PLC (GB) 2016-08-24 EP claimed
US-20150291659-A1 SOLOMONAMIDE ANALOGUE COMPOUNDS, PHARMACEUTICALS CONTAINING SOLOMONAMIDE ANALOGUE COMPOUNDS, AND PROCESSES FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-10-15 US claimed
EP-2925771-A1 A PROCESS FOR THE PREPARATION OF SOLOMONAMIDE ANALOGUES Council of Scientific & Industrial Research (IN) 2015-10-07 EP claimed
WO-2014083578-A1 A PROCESS FOR THE PREPARATION OF SOLOMONAMIDE ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESERACH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2014-06-05 WO claimed
EP-2262521-B1 OPHTHALMIC COMPOSITIONS COMPRISING A DIPEPTIDE WITH A GLYCINE MOIETY BAUSCH & LOMB (US) 2014-02-26 EP claimed
EP-1809720-B1 FUNCTIONALIZED FLUORESCENT NANOCRYSTALS, AND METHODS FOR THEIR PREPARATION AND USE LIFE TECHNOLOGIES CORP (US) 2012-05-02 EP claimed
US-7977383-B2 Containing alkali ions, electrolytes, a buffer, polyol, saccharide and hydroxamic acid derivatives DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2011-07-12 US claimed
EP-2262521-A1 OPHTHALMIC COMPOSITIONS COMPRISING A DIPEPTIDE Bausch & Lomb Incorporated (US) 2010-12-22 EP claimed
US-20030215781-A1 Protective solutions for organs DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2003-11-20 US claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP claimed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150291659-A1 SOLOMONAMIDE ANALOGUE COMPOUNDS, PHARMACEUTICALS CONTAINING SOLOMONAMIDE ANALOGUE COMPOUNDS, AND PROCESSES FOR THE PREPARATION THEREOF CNR2, SRM, CNR1 SLC15A2 3402/4885ITGB3 3528/4885ITGA2B 2253/4885
US-20030215781-A1 Protective solutions for organs GLS, CA1, SI SLC15A2 457/4885ITGB3 2749/4885ITGA2B 3878/4885

“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.