SCHEMBL5750035

SCHEMBL5750035

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(Oc2ccccn2)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.37
CETP P11597 16/20 0.35
MAPK14 Q16539 1/20 0.35
CHRM5 P08912 1/20 0.34
SCN9A Q15858 1/20 0.33

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 0.91 MAPK14 (0.42) CETPMAPK14
SCHEMBL5753965 0.88 CETP (0.44) S1PR3CETPMAPK14
SCHEMBL1900658 0.88 CETP (0.39) CETPSCN9A
SCHEMBL1900660 0.88 CETP (0.39) CETPSCN9A
SCHEMBL5754542 0.88 CETP (0.39) CETPSCN9A
SCHEMBL5749945 0.86 CETP (0.41) CETPMAPK14CHRM5
SCHEMBL7173132 0.86 CETP (0.41) CETPMAPK14CHRM5
SCHEMBL5751601 0.86 CETP (0.35) CETPSCN9A
SCHEMBL5749925 0.86 CETP (0.35) CETPSCN9A
SCHEMBL5752886 0.84 CETP (0.37) CETPSCN9A

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 S1PR3 856/4885CETP 1/4885MAPK14 3182/4885

“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.