SCHEMBL4151677

SCHEMBL4151677

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.66
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
CHRND Q07001 5/20 0.52
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CPA1 P15085 1/20 0.50
CPA2 P48052 1/20 0.50
CPA4 Q9UI42 1/20 0.50
CTSL P07711 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
SCHEMBL13819248 1.00 GRIA1 (0.66) GRIA1KDM4EF13A1MMP2MMP9
SCHEMBL13819246 0.95 CTSS (0.62) GRIA1KDM4EF13A1MMP2MMP9
SCHEMBL4153712 0.95 CTSS (0.62) GRIA1KDM4EF13A1MMP2MMP9
SCHEMBL20865591 0.87 KDM4E (0.52) GRIA1KDM4EF13A1MMP2MMP9
SCHEMBL5009890 0.85 GRIA1 (0.62) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL5007773 0.85 GRIA1 (0.62) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL20866078 0.85 GRIA1 (0.68) GRIA1KDM4EF13A1MMP2MMP9
SCHEMBL6021496 0.84 CTSS (0.62) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL9724062 0.83 GRIA1 (0.59) GRIA1CTSSCTSKCHRNDCPA1
SCHEMBL20865715 0.82 MMP8 (0.55) GRIA1MMP2MMP9MMP8CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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-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-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 (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 GRIA1 626/4885KDM4E 2047/4885F13A1 1705/4885

“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.