SCHEMBL5754437

SCHEMBL5754437

O=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2ccc(Cl)s2)O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CETP P11597 13/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DAO P14920 2/20 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
SCHEMBL5749786 0.82 CETP (0.37) HCRTR1HCRTR2CETPPIM1PIM2
SCHEMBL5751660 0.80 CETP (0.44) HCRTR1HCRTR2CETPPIM1PIM2
SCHEMBL5749830 0.80 HCRTR1 (0.37) HCRTR1HCRTR2CETPDAO
SCHEMBL5752987 0.79 CETP (0.43) HCRTR1HCRTR2CETPDAO
SCHEMBL5754136 0.79 MDM2 (0.39) HCRTR1HCRTR2CETPPIM1PIM2
SCHEMBL5751034 0.78 CETP (0.43) CETP
SCHEMBL5752451 0.78 CETP (0.37) HCRTR1HCRTR2CETPPIM1PIM2
SCHEMBL5750255 0.78 DAO (0.36) DAO
SCHEMBL5751191 0.78 PIM1 (0.39) HCRTR1HCRTR2CETPPIM1PIM2
SCHEMBL5750233 0.78 CETP (0.38) HCRTR1HCRTR2CETPPIM1PIM2

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 HCRTR1 1956/4885HCRTR2 1789/4885CETP 1/4885

“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.