SCHEMBL5754635

SCHEMBL5754635

O=C(O)NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1csc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.41
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ROCK1 Q13464 2/20 0.37
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.36
PTPRB P23467 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL7159258 1.00 CETP (0.41) CETPCDK5CDK5R1CCNA2CDK2
SCHEMBL5751898 0.86 SCN9A (0.36) CETPROCK1LMNA
SCHEMBL5750928 0.86 CETP (0.42) CETPCDK5CDK5R1CCNA2CDK2
SCHEMBL5753592 0.84 CETP (0.40) CETPCDK5CDK5R1
SCHEMBL5752997 0.84 CETP (0.44) CETP
SCHEMBL7124640 0.82 CETP (0.39) CETP
SCHEMBL5753067 0.82 CETP (0.33) CETPPPARALMNA
SCHEMBL5751004 0.79 CETP (0.44) CETP
SCHEMBL7159587 0.79 CETP (0.44) CETP
SCHEMBL5752233 0.75 CETP (0.38) CETP

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 1/4885CDK5 3632/4885CDK5R1 2679/4885

“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.