SCHEMBL2118063

SCHEMBL2118063

O=C(O)[C@H](Cc1ccccc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.50
PPARA Q07869 6/20 0.50
MDM2 Q00987 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CPA3 P15088 3/20 0.44
CPA1 P15085 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
SRR Q9GZT4 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1193057 1.00 PPARG (0.50) PPARGPPARAMDM2CYP1A2ALPI
SCHEMBL22033162 0.90 SLC7A5 (0.47) PPARGPPARAMDM2CYP1A2ALPI
SCHEMBL22033163 0.90 SLC7A5 (0.47) PPARGPPARAMDM2CYP1A2ALPI
SCHEMBL29254130 0.89 PPARG (0.49) PPARGPPARA
SCHEMBL12583014 0.86 MDM2 (0.47) PPARGPPARAMDM2CYP1A2ALPI
SCHEMBL27125750 0.86 GRIA2 (0.46) PPARGPPARAFOLH1
SCHEMBL26985751 0.86 GRIA2 (0.46) PPARGPPARAFOLH1
SCHEMBL26985913 0.86 GRIA2 (0.46) PPARGPPARAFOLH1
SCHEMBL30703204 0.85 SLC1A1 (0.51) PPARGPPARAMDM2CYP1A2SLC1A1
SCHEMBL4367203 0.85 PPARG (0.52) PPARGPPARAMDM2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-6639094-B2 Process for producing α-aminoketone derivatives AJINOMOTO CO., INC. (JP) 2003-10-28 US disclosed
US-20020026081-A1 Process for producing alpha-aminoketone derivatives AJINOMOTO CO., INC. (JP) 2002-02-28 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-20020026081-A1 Process for producing alpha-aminoketone derivatives AADAT, BCKDK, BCAT1 PPARG 1688/4885PPARA 1366/4885MDM2 1885/4885
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 PPARG 4567/4885PPARA 2633/4885MDM2 2574/4885

“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.