SCHEMBL5751303

SCHEMBL5751303

Cc1cc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2ccc(F)cc2)cc(OC(F)(F)C(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.34
SCN9A Q15858 2/20 0.34
CETP P11597 8/20 0.33
CTSB P07858 2/20 0.33
KCNH2 Q12809 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
MCHR1 Q99705 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL1900660 0.89 CETP (0.39) BACE1SCN9ACETP
SCHEMBL1900658 0.89 CETP (0.39) BACE1SCN9ACETP
SCHEMBL5754542 0.89 CETP (0.39) BACE1SCN9ACETP
SCHEMBL5749902 0.88 CNR1 (0.38) SCN9AMCHR1
SCHEMBL5749779 0.85 CETP (0.40) BACE1SCN9ACETP
SCHEMBL5752918 0.83 MAPK14 (0.42) CETP
SCHEMBL5755540 0.82 MAPK14 (0.41) BACE1SCN9ACETP
SCHEMBL5752082 0.82 RORC (0.36) DGAT2MCHR1PPARG
SCHEMBL5752003 0.82 CETP (0.42) BACE1SCN9ACETP
SCHEMBL5752339 0.81 CNR1 (0.39) MCHR1PPARGPPARA

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 BACE1 835/4885SCN9A 3335/4885CETP 1/4885

“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.