SCHEMBL4156306

SCHEMBL4156306

O=C(CCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.62
GRIA1 P42261 1/20 0.56
MBTPS1 Q14703 1/20 0.55
TACR1 P25103 1/20 0.54
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
POLB P06746 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TYR P14679 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL4147943 1.00 ACE (0.62) ACEGRIA1MBTPS1TACR1MDM4
SCHEMBL4156226 1.00 ACE (0.62) ACEGRIA1MBTPS1TACR1MDM4
SCHEMBL4147945 1.00 ACE (0.62) ACEGRIA1MBTPS1TACR1MDM4
SCHEMBL4147423 1.00 ACE (0.62) ACEGRIA1MBTPS1TACR1MDM4
SCHEMBL4156308 1.00 ACE (0.62) ACEGRIA1MBTPS1TACR1MDM4
SCHEMBL13673884 0.95 ACE (0.67) ACEMBTPS1TACR1POLBITGB3
SCHEMBL4152421 0.95 ACE (0.67) ACEMBTPS1TACR1POLBITGB3
SCHEMBL12009639 0.90 ALDH1A1 (0.57) ACEGRIA1TACR1MDM4MDM2
SCHEMBL3929918 0.90 ALDH1A1 (0.57) ACEGRIA1TACR1MDM4MDM2
SCHEMBL4149820 0.90 MDM4 (0.67) GRIA1MDM4MDM2POLB

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 9 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
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 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
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-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-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

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 ACE 453/4885GRIA1 599/4885MBTPS1 3294/4885
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 ACE 432/4885GRIA1 626/4885MBTPS1 3338/4885

“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.