SCHEMBL5749786

SCHEMBL5749786

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRM5 P41594 2/20 0.36
DAO P14920 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL5752987 0.89 CETP (0.43) CETPHCRTR1HCRTR2GRM5DAO
SCHEMBL5751660 0.86 CETP (0.44) CETPHCRTR1HCRTR2GRM5DAO
SCHEMBL5749830 0.85 HCRTR1 (0.37) CETPHCRTR1HCRTR2DAO
SCHEMBL5750080 0.85 CETP (0.46) CETP
SCHEMBL5754136 0.85 MDM2 (0.39) CETPHCRTR1HCRTR2DAOPIM1
SCHEMBL5751034 0.84 CETP (0.43) CETP
SCHEMBL5752451 0.84 CETP (0.37) CETPHCRTR1HCRTR2DAOPIM1
SCHEMBL5752122 0.83 CETP (0.37) CETPHCRTR1HCRTR2GRM5DAO
SCHEMBL5751191 0.83 PIM1 (0.39) CETPHCRTR1HCRTR2DAOPIM1
SCHEMBL5754437 0.82 HCRTR1 (0.37) CETPHCRTR1HCRTR2DAOPIM1

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 1/4885HCRTR1 1956/4885HCRTR2 1789/4885

“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.