SCHEMBL5751898

SCHEMBL5751898

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1csc(-c2ccccc2)n1)c1ccc(F)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
CETP P11597 11/20 0.36
ROCK1 Q13464 2/20 0.35
LMNA P02545 2/20 0.34
ROCK2 O75116 1/20 0.34
CAPN1 P07384 1/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL7159258 0.86 CETP (0.41) CETPROCK1LMNA
SCHEMBL5754635 0.86 CETP (0.41) CETPROCK1LMNA
SCHEMBL5752782 0.86 CETP (0.36) SCN9ACETP
SCHEMBL5750279 0.83 MAPK14 (0.39) CETP
SCHEMBL5751785 0.82 SCN9A (0.36) SCN9ACETPROCK1ROCK2
SCHEMBL5752918 0.82 MAPK14 (0.42) CETP
SCHEMBL1900660 0.82 CETP (0.39) SCN9ACETPLMNABACE1
SCHEMBL1900658 0.82 CETP (0.39) SCN9ACETPLMNABACE1
SCHEMBL5754542 0.82 CETP (0.39) SCN9ACETPLMNABACE1
SCHEMBL5752003 0.81 CETP (0.42) SCN9ACETPBACE1

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 SCN9A 3335/4885CETP 1/4885ROCK1 2704/4885

“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.