SCHEMBL4144668

SCHEMBL4144668

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
CTSL P07711 1/20 0.64
CTSB P07858 1/20 0.64
CTSS P25774 1/20 0.64
MME P08473 2/20 0.61
PSMB8 P28062 1/20 0.61
PSMB5 P28074 1/20 0.61
ACE P12821 6/20 0.60
NPSR1 Q6W5P4 1/20 0.59
CNR2 P34972 1/20 0.59
NAALAD2 Q9Y3Q0 1/20 0.58
ECE1 P42892 1/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL10504767 1.00 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4144665 1.00 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL25769240 0.94 CTSL (0.66) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4160723 0.92 MME (0.63) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL27840664 0.92 MME (0.63) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4160727 0.92 MME (0.63) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4162323 0.92 MME (0.63) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4162326 0.92 MME (0.63) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL1458952 0.91 PSMB8 (0.67) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL1459346 0.91 PSMB8 (0.67) ITGB3ITGA2BCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3869192-B1 METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE HUMAN METABOLOMICS INST INC (CN) 2026-05-13 EP claimed
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
CN-116223803-A Application of reagent for detecting intestinal microorganisms and/or fecal metabolites in preparation of preparation for diagnosing diabetes mellitus and kit 中南大学湘雅二医院 2023-06-06 CN claimed
US-20220026398-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2022-01-27 US claimed
CN-109298115-A A variety of metabolin quantitative detecting methods and metabolism chip in biological sample 深圳市绘云生物科技有限公司 2019-02-01 CN claimed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US claimed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP claimed
EP-3869192-B1 METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE HUMAN METABOLOMICS INST INC (CN) 2026-05-13 EP disclosed
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US disclosed
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US disclosed
EP-3689892-B1 RADIOACTIVE DRUG UNIV CHIBA NAT UNIV CORP (JP) 2024-07-17 EP disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed
EP-0045161-B1 AMIDES OF 4-OXO-5-AMIDOHEXANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-14 EP disclosed
EP-0045161-A1 Amides of 4-oxo-5-amidohexanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-03 EP 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 (1 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-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH ITGB3 4262/4885ITGA2B 3589/4885CTSL 702/4885

“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.