SCHEMBL5751679

SCHEMBL5751679

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
ACP3 P15309 3/20 0.43
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FPR2 P25090 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRD5A2 P31213 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK14 Q16539 1/20 0.39
DRD4 P21917 1/20 0.39
PDPK1 O15530 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL5752822 0.84 PPARG (0.47) PPARGPPARAEPHX2L3MBTL1FPR2
SCHEMBL5750437 0.80 PPARG (0.51) PPARGPPARAACP3L3MBTL1FPR2
SCHEMBL5755248 0.80 PIN1 (0.48) PPARGPPARAACP3EPHX2CNR2
Hydrochloric Acid SCHEMBL5751811 0.80 HTT (0.42) ACP3CNR2GAAMAPTMAPK1
SCHEMBL5751363 0.78 DRD4 (0.51) L3MBTL1DRD4PIN1
SCHEMBL5749156 0.77 PIN1 (0.45) PPARGPPARAEPHX2GAAMAPT
SCHEMBL5752865 0.75 PIN1 (0.57) ACP3DRD4PIN1
SCHEMBL5754817 0.75 PPARA (0.44) PPARGPPARAEPHX2L3MBTL1FPR2
SCHEMBL5752665 0.74 PDE2A (0.46) PPARGPPARAEPHX2L3MBTL1SRD5A2
SCHEMBL5749024 0.74 OPRM1 (0.47) PPARGPPARAACP3L3MBTL1FPR2

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 PPARG 905/4885PPARA 708/4885ACP3 1082/4885

“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.