SCHEMBL5753965

SCHEMBL5753965

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.44
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NAMPT P43490 3/20 0.39
S1PR3 Q99500 1/20 0.37
MAPK14 Q16539 1/20 0.36
FAAH O00519 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5752918 0.92 MAPK14 (0.42) CETPMAPK14
SCHEMBL5750035 0.88 S1PR3 (0.37) CETPS1PR3MAPK14
SCHEMBL1900658 0.88 CETP (0.39) CETP
SCHEMBL1900660 0.88 CETP (0.39) CETP
SCHEMBL5754542 0.88 CETP (0.39) CETP
SCHEMBL5750279 0.87 MAPK14 (0.39) CETPMAPK14
SCHEMBL5749925 0.86 CETP (0.35) CETP
SCHEMBL5756069 0.85 CETP (0.51) CETPADRB1ADRB3NAMPTFAAH
SCHEMBL5752886 0.84 CETP (0.37) CETP
SCHEMBL5751601 0.84 CETP (0.35) 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 1/4885NPC1 28/4885GAA 3065/4885

“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.