SCHEMBL5750080

SCHEMBL5750080

O=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2cccc(OCc3ccccc3)c2)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.46
TNKS2 Q9H2K2 1/20 0.43
DPYD Q12882 1/20 0.37
KCNH2 Q12809 1/20 0.37
AR P10275 1/20 0.37
MAOB P27338 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL5751375 0.93 CETP (0.44) CETPTNKS2DPYDARMAOB
SCHEMBL5752987 0.86 CETP (0.43) CETP
SCHEMBL5751034 0.85 CETP (0.43) CETP
SCHEMBL5749786 0.85 CETP (0.37) CETP
SCHEMBL5751660 0.83 CETP (0.44) CETP
SCHEMBL5752122 0.83 CETP (0.37) CETP
SCHEMBL5754136 0.82 MDM2 (0.39) CETP
SCHEMBL5752451 0.82 CETP (0.37) CETP
SCHEMBL5749830 0.81 HCRTR1 (0.37) CETP
SCHEMBL5751465 0.81 CETP (0.37) CETPMAOB

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 CETP 1/4885TNKS2 4639/4885DPYD 4622/4885

“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.