SCHEMBL5749779

SCHEMBL5749779

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1)c1cccc2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.40
BACE1 P56817 4/20 0.37
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1900660 0.96 CETP (0.39) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL1900658 0.96 CETP (0.39) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL5754542 0.96 CETP (0.39) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL5750976 0.91 CETP (0.38) CETPBACE1LMNAPOLB
SCHEMBL5752918 0.89 MAPK14 (0.42) CETP
SCHEMBL5755540 0.89 MAPK14 (0.41) CETPBACE1SCN9A
SCHEMBL5752003 0.88 CETP (0.42) CETPBACE1SCN9A
SCHEMBL5749902 0.86 CNR1 (0.38) SCN9AALDH1A1
SCHEMBL5752979 0.85 ADRB1 (0.38) CETPSCN9A
SCHEMBL5749925 0.85 CETP (0.35) CETPBACE1SCN9A

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 1/4885BACE1 835/4885SCN9A 3335/4885

“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.