SCHEMBL5752196

SCHEMBL5752196

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 2/20 0.45
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
SLC6A9 P48067 1/20 0.41
CYP3A4 P08684 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL5749168 0.92 MAPK14 (0.47) MAPK14MEN1KMT2AEPHX2LTA4H
SCHEMBL5751934 0.91 CNR2 (0.47) MAPK14ALDH1A1PPARGPPARACNR2
SCHEMBL5752315 0.91 CNR2 (0.45) ALDH1A1CNR2HTTSLC6A9CYP3A4
SCHEMBL5751409 0.89 ALDH1A1 (0.48) EPHX2ALDH1A1PPARGPPARACNR2
SCHEMBL5752379 0.89 ALDH1A1 (0.48) EPHX2ALDH1A1PPARGPPARACNR2
SCHEMBL5753639 0.89 MMP2 (0.46) ALDH1A1PPARGCNR2HTTSLC6A9
SCHEMBL5750953 0.88 ALDH1A1 (0.52) KMT2AEPHX2ALDH1A1GAASLC6A9
SCHEMBL5752099 0.86 VNN1 (0.49) EPHX2ALDH1A1PPARGPPARASLC6A9
SCHEMBL5751154 0.86 PIN1 (0.55) SLC6A9
SCHEMBL5752046 0.84 ALDH1A1 (0.46) MEN1KMT2AEPHX2ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MAPK14 3182/4885MEN1 2847/4885KMT2A 404/4885

“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.