SCHEMBL4153712

SCHEMBL4153712

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
GRIA1 P42261 2/20 0.61
MMP8 P22894 2/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
CPA1 P15085 1/20 0.57
CPA2 P48052 1/20 0.57
CPA4 Q9UI42 1/20 0.57
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
F13A1 P00488 1/20 0.56
CHRNA1 P02708 2/20 0.56
CHRNG P07510 2/20 0.56
CHRNB1 P11230 2/20 0.56
CHRND Q07001 2/20 0.56
SRC P12931 1/20 0.55
OPRM1 P35372 3/20 0.55
CTSL P07711 1/20 0.55
OPRD1 P41143 2/20 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
SCHEMBL13819246 1.00 CTSS (0.62) CTSSCTSKGRIA1MMP8MMP2
SCHEMBL4151677 0.95 GRIA1 (0.66) CTSSCTSKGRIA1MMP8MMP2
SCHEMBL13819248 0.95 GRIA1 (0.66) CTSSCTSKGRIA1MMP8MMP2
SCHEMBL20865715 0.88 MMP8 (0.55) CTSSCTSKGRIA1MMP8MMP2
SCHEMBL21560530 0.86 CHRNA1 (0.73) CTSSGRIA1MMP8MMP2MMP9
SCHEMBL21560529 0.86 CHRNA1 (0.73) CTSSGRIA1MMP8MMP2MMP9
SCHEMBL18951703 0.83 CTSS (0.59) CTSSCTSKGRIA1MMP8MMP9
SCHEMBL15692299 0.83 MME (0.66) CTSSCTSKCPA1CPA2CPA4
SCHEMBL5997104 0.83 MME (0.66) CTSSCTSKCPA1CPA2CPA4
SCHEMBL15692300 0.83 MME (0.66) CTSSCTSKCPA1CPA2CPA4

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 CTSS 617/4885CTSK 1904/4885GRIA1 626/4885

“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.