SCHEMBL5751205

SCHEMBL5751205

CCOC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
EPHX2 P34913 7/20 0.54
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PPARA Q07869 4/20 0.43
MDM2 Q00987 2/20 0.43
GSK3B P49841 1/20 0.42
MMP8 P22894 1/20 0.41
VNN1 O95497 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5751165 1.00 PPARG (0.54) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL5750744 0.91 EPHX2 (0.49) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL5748807 0.91 EPHX2 (0.54) PPARGEPHX2MDM2MMP8MAPT
SCHEMBL5752445 0.90 EPHX2 (0.50) PPARGEPHX2PPARAMDM2MMP8
SCHEMBL5753587 0.89 PPARG (0.53) PPARGEPHX2PPARAMDM2GSK3B
SCHEMBL5752412 0.89 PPARG (0.52) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL5752947 0.88 EPHX2 (0.52) PPARGEPHX2PPARA
SCHEMBL5750614 0.88 PPARG (0.51) PPARGEPHX2PPARAGSK3BMMP8
SCHEMBL5750586 0.87 PPARG (0.51) PPARGEPHX2PPARAMDM2MMP8
SCHEMBL5752663 0.86 MDM2 (0.60) MDM2MAPT

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 905/4885EPHX2 1434/4885NOS3 2157/4885

“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.