SCHEMBL5750445

SCHEMBL5750445

CC(C)(C)OC(=O)N1C(=O)OC(c2cccc(F)n2)C1Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CETP P11597 7/20 0.35
KLK7 P49862 6/20 0.35
KLK5 Q9Y337 5/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL7124598 0.89 CETP (0.38) HCRTR1HCRTR2CETPCCNB2CCNE2
SCHEMBL5753504 0.85 HCRTR1 (0.37) HCRTR1HCRTR2CETPKLK7KLK5
SCHEMBL5755094 0.85 CETP (0.37) HCRTR1HCRTR2CETPKLK7KLK5
SCHEMBL5749959 0.74 KLK7 (0.38) HCRTR1HCRTR2CETPKLK7KLK5
SCHEMBL7123401 0.74 HCRTR1 (0.38) HCRTR1HCRTR2CETPCCNB2CCNE2
SCHEMBL7117716 0.74 CETP (0.37) HCRTR1HCRTR2CETPCCNB2CCNE2
SCHEMBL5754477 0.74 CETP (0.37) HCRTR1HCRTR2CETP
SCHEMBL5750233 0.73 CETP (0.38) HCRTR1HCRTR2CETPCCNB2CCNE2
SCHEMBL5752033 0.73 CETP (0.39) HCRTR1HCRTR2CETP
SCHEMBL5750447 0.71 HCRTR1 (0.36) HCRTR1HCRTR2CETPCCNB2CCNE2

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 2 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

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.