SCHEMBL5752113

SCHEMBL5752113

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1cccc(O)c1)c1cccc2c1C=CCCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.36
CETP P11597 10/20 0.34
NLRP3 Q96P20 1/20 0.31
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
CTSL P07711 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) UGCGCETPNAMPTMAPTCTSD
SCHEMBL5751888 0.93 CETP (0.37) UGCGCETPNAMPTSCN9A
SCHEMBL5748991 0.92 UGCG (0.36) UGCGCETPNAMPTCTSL
SCHEMBL5753982 0.92 UGCG (0.39) UGCGCETPCTSDBACE1
SCHEMBL5753597 0.91 CETP (0.40) UGCGCETP
SCHEMBL5751530 0.90 CETP (0.35) UGCGCETPBACE1BACE2EPHX2
SCHEMBL5752767 0.90 CETP (0.35) UGCGCETPBACE1BACE2EPHX2
SCHEMBL5751940 0.90 CETP (0.34) UGCGCETPNAMPTMAPTCTSD
SCHEMBL2137076 0.90 CETP (0.36) UGCGCETPNAMPTCTSL
SCHEMBL5751922 0.90 CETP (0.36) UGCGCETPNAMPTCTSDBACE1

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 UGCG 740/4885CETP 1/4885NLRP3 4321/4885

“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.