SCHEMBL4147927

SCHEMBL4147927

O=C(CCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
ACE P12821 6/20 0.60
GRIA1 P42261 1/20 0.60
MME P08473 1/20 0.60
NAALAD2 Q9Y3Q0 1/20 0.57
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
CDC25B P30305 1/20 0.56
PIN1 Q13526 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
FOLH1 Q04609 1/20 0.53

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
SCHEMBL4147924 1.00 ITGB3 (0.62) ITGB3ITGA2BACEGRIA1MME
SCHEMBL4147413 1.00 ITGB3 (0.62) ITGB3ITGA2BACEGRIA1MME
SCHEMBL4147417 1.00 ITGB3 (0.62) ITGB3ITGA2BACEGRIA1MME
SCHEMBL4147882 0.96 NAALAD2 (0.61) ITGB3ITGA2BACEGRIA1MME
SCHEMBL4147877 0.96 NAALAD2 (0.61) ITGB3ITGA2BACEGRIA1MME
SCHEMBL5458748 0.93 ITGB3 (0.65) ITGB3ITGA2BACEMMENAALAD2
SCHEMBL4153095 0.93 ITGB3 (0.65) ITGB3ITGA2BACEMMENAALAD2
SCHEMBL4153101 0.93 ITGB3 (0.65) ITGB3ITGA2BACEMMENAALAD2
SCHEMBL30845347 0.89 NAALAD2 (0.54) ITGB3ITGA2BACEGRIA1MME
SCHEMBL30081065 0.89 ACE (0.56) ITGB3ITGA2BACEGRIA1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-118272840-A Method for electrochemical synthesis of thiocarbamate-labeled tyrosine-containing biomolecules 广西师范大学 2024-07-02 CN disclosed
CN-116546988-A Prodrugs of 5α -hydroxy-6β - [2- (1H-imidazol-4-yl) ethylamino ] cholestan-3β -ol and pharmaceutical compositions for cancer treatment containing the same 登德罗杰尼克斯公司 2023-08-04 CN disclosed
EP-1876169-B1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTENNOSTIYU PHARMENTPR (RU) 2015-12-30 EP disclosed
CN-101180267-B Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV 2015-06-17 CN disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-05-02 US disclosed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
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 disclosed
CN-101180267-A Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV (RU) 2008-05-14 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

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-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF MAOA, PAH, MAOB ITGB3 4238/4885ITGA2B 3436/4885ACE 453/4885
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 3589/4885ACE 432/4885

“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.