SCHEMBL5753067

SCHEMBL5753067

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1csc(-c2ccccc2)n1)c1cccc2c1C=CCCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.33
CAPN1 P07384 2/20 0.32
LMNA P02545 1/20 0.31
PPARA Q07869 1/20 0.31
PSMB5 P28074 1/20 0.31
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
SCN9A Q15858 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5753971 0.87 CETP (0.36) CETPPSMB5CTSDBACE1BACE2
SCHEMBL5752827 0.86 CETP (0.33) CETPSCN9A
SCHEMBL5755650 0.85 CETP (0.36) CETP
SCHEMBL1899668 0.84 CETP (0.38) CETP
SCHEMBL5749793 0.84 CETP (0.32) CETPCTSDBACE1BACE2SCN9A
SCHEMBL5752919 0.83 PTGER4 (0.38) CETPCTSDBACE1BACE2
SCHEMBL5752659 0.82 CETP (0.35) CETPCTSDBACE1BACE2SCN9A
SCHEMBL5751530 0.82 CETP (0.35) CETPBACE1BACE2SCN9A
SCHEMBL5752767 0.82 CETP (0.35) CETPBACE1BACE2SCN9A
SCHEMBL5753597 0.82 CETP (0.40) 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 1/4885CAPN1 3686/4885LMNA 2989/4885

“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.