SCHEMBL4153061

SCHEMBL4153061

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.67
MDM2 Q00987 1/20 0.67
HDAC1 Q13547 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
TSHR P16473 1/20 0.60
PARP1 P09874 1/20 0.57
PARP3 Q9Y6F1 1/20 0.57
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIA1 P42261 1/20 0.56
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
YAP1 P46937 1/20 0.54

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
SCHEMBL4149824 1.00 MDM4 (0.67) MDM4MDM2HDAC1HDAC6TSHR
SCHEMBL4153058 1.00 MDM4 (0.67) MDM4MDM2HDAC1HDAC6TSHR
SCHEMBL4149820 1.00 MDM4 (0.67) MDM4MDM2HDAC1HDAC6TSHR
SCHEMBL1856571 0.95 MDM4 (0.62) MDM4MDM2HDAC1HDAC6TSHR
SCHEMBL4152603 0.95 MDM4 (0.62) MDM4MDM2HDAC1HDAC6TSHR
SCHEMBL4145473 0.93 HDAC1 (0.63) MDM4MDM2HDAC1HDAC6PARP1
SCHEMBL4145476 0.93 HDAC1 (0.63) MDM4MDM2HDAC1HDAC6PARP1
SCHEMBL5966500 0.93 HDAC1 (0.63) MDM4MDM2HDAC1HDAC6PARP1
SCHEMBL12009639 0.90 ALDH1A1 (0.57) MDM4MDM2ALDH1A1GRIA1POLB
SCHEMBL3929918 0.90 ALDH1A1 (0.57) MDM4MDM2ALDH1A1GRIA1POLB

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 8 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
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
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
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 MDM4 4734/4885MDM2 4398/4885HDAC1 1653/4885
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 MDM4 4681/4885MDM2 4424/4885HDAC1 1599/4885

“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.