SCHEMBL13819263

SCHEMBL13819263

O=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.63
MBTPS1 Q14703 1/20 0.62
TACR1 P25103 3/20 0.61
POLB P06746 1/20 0.59
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
TYR P14679 1/20 0.54
PSMB8 P28062 1/20 0.54
PSMB5 P28074 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR2 P34972 1/20 0.51
MAPT P10636 1/20 0.51
S1PR1 P21453 1/20 0.51

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
SCHEMBL13819238 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL4152619 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL4147386 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL4147379 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL4161444 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL13819239 0.94 ACE (0.58) ACEMBTPS1TACR1POLBCTSL
SCHEMBL9514554 0.88 ACE (0.63) ACEMBTPS1TACR1POLBCTSL
SCHEMBL9514550 0.88 ACE (0.63) ACEMBTPS1TACR1POLBCTSL
SCHEMBL10660589 0.88 ALDH1A1 (0.51) ACEMBTPS1TACR1POLBCTSL
SCHEMBL11559927 0.87 TP53 (0.60) TACR1POLBCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 453/4885MBTPS1 3294/4885TACR1 803/4885
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 432/4885MBTPS1 3338/4885TACR1 865/4885

“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.