SCHEMBL5751940

SCHEMBL5751940

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(Br)cc1)c1cccc2c1C=CCCC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.34
UGCG Q16739 4/20 0.33
NAMPT P43490 1/20 0.31
MAPT P10636 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
EPHX2 P34913 1/20 0.30
SCN9A Q15858 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
SCHEMBL5752659 0.93 CETP (0.35) CETPUGCGNAMPTMAPTCTSD
SCHEMBL5752767 0.93 CETP (0.35) CETPUGCGBACE1BACE2EPHX2
SCHEMBL5751530 0.93 CETP (0.35) CETPUGCGBACE1BACE2EPHX2
SCHEMBL5751922 0.93 CETP (0.36) CETPUGCGNAMPTCTSDBACE1
SCHEMBL2137076 0.93 CETP (0.36) CETPUGCGNAMPT
SCHEMBL5752396 0.93 CETP (0.36) CETPUGCGNAMPTMAPTCTSD
SCHEMBL5751760 0.92 UGCG (0.36) CETPUGCGCTSDBACE1
SCHEMBL1899668 0.92 CETP (0.38) CETPUGCG
SCHEMBL5753971 0.92 CETP (0.36) CETPUGCGNAMPTCTSDBACE1
SCHEMBL5752919 0.92 PTGER4 (0.38) CETPUGCGNAMPTCTSDBACE1

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 1/4885UGCG 740/4885NAMPT 2791/4885

“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.