SCHEMBL2494942

SCHEMBL2494942

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC15A1 P46059 2/20 0.51
LTA4H P09960 1/20 0.49
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
HDAC8 Q9BY41 2/20 0.46
SRR Q9GZT4 2/20 0.46
CTSC P53634 1/20 0.44
CYP1A2 P05177 1/20 0.44
MMP2 P08253 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL21495214 1.00 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288607 0.93 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28820471 0.93 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8835936 0.93 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29160724 0.91 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
Succinic Acid SCHEMBL15324180 0.87 SLC15A1 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1526409 0.86 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27232046 0.86 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8609126 0.86 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9117463 0.85 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
CN-110099576-B Food or drink containing cycloalanylserine and ethanol and/or propylene glycol 三得利控股株式会社 2023-02-28 CN disclosed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 CN disclosed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN disclosed
EP-2628802-B1 DNA VACCINE BASED ON B7-1-PE40KDEL EXOTOXIN FUSION GENE AND USE THEREOF AFFILIATED HOSPITAL OF ACADEMY OF MILITARY MEDICAL SCIENCES PLA (CN) 2016-10-26 EP disclosed
CN-105307514-A Plant extract containing diketopiperazine and method for producing same SUNTORY HOLDINGS LTD 2016-02-03 CN disclosed
US-9029520-B2 B7-1-PE40KDEL exotoxin fusion gene-based DNA vaccine and the use thereof AFFILIATED HOSPITAL OF ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2015-05-12 US disclosed
US-20130344101-A1 B7-1-PE40KDEL EXOTOXIN FUSION GENE-BASED DNA VACCINE AND THE USE THEREOF AFFILIATED HOSPITAL OF ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2013-12-26 US disclosed
EP-1809325-B1 VACCINES AGAINST JAPANESE ENCEPHALITIS VIRUS SANOFI PASTEUR BIOLOGICS LLC (US) 2013-11-20 EP disclosed
EP-2628802-A1 DNA VACCINE BASED ON B7-1-PE40KDEL EXOTOXIN FUSION GENE AND USE THEREOF Affiliated Hospital of Academy of Military Medical Sciences, PLA (CN) 2013-08-21 EP disclosed
US-8029802-B2 Vaccines against Japanese encephalitis virus and West Nile virus SANOFI PASTEUR BIOLOGICS CO. (US) 2011-10-04 US disclosed
EP-1355919-B1 MOLECULES WITH EXTENDED HALF-LIVES, COMPOSITIONS AND USES THEREOF MEDIMMUNE LLC (US) 2010-11-24 EP disclosed
US-20090156563-A1 Glucan Compositions CIBA CORP. 2009-06-18 US disclosed
EP-1957168-A2 GLUCAN COMPOSITIONS Ciba Holding Inc. (CH) 2008-08-20 EP disclosed
US-20070269458-A1 Vaccines Against Japanese Encephalitis Virus and West Nile Virus ACAMBIS INC. (US) 2007-11-22 US disclosed
WO-2007062995-A2 GLUCAN COMPOSITIONS CIBA HOLDING INC. (CH) 2007-06-07 WO disclosed
EP-0036420-B1 PEPTIDES HAVING IMUNOSTIMULATING PROPERTIES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT PASTEUR (FR) 1983-08-10 EP disclosed
EP-0036420-A1 PEPTIDES HAVING IMUNOSTIMULATING PROPERTIES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PASTEUR INSTITUT (FR) 1981-09-30 EP disclosed
WO-1981000847-A1 PEPTIDES HAVING IMUNOSTIMULATING PROPERTIES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PASTEUR INSTITUT (FR) 1981-04-02 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 (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-20090156563-A1 Glucan Compositions SORD, GLA, CUTA SLC7A5 4765/4885ALPI 250/4885PKM 1047/4885
US-20130344101-A1 B7-1-PE40KDEL EXOTOXIN FUSION GENE-BASED DNA VACCINE AND THE USE THEREOF PA2G4, PDCD1LG2, MPEG1 SLC7A5 4519/4885ALPI 2815/4885PKM 1984/4885

“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.