SCHEMBL5752859

SCHEMBL5752859

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.34
DGAT2 Q96PD7 2/20 0.34
MCHR1 Q99705 1/20 0.34
BACE2 Q9Y5Z0 5/20 0.33
CTSB P07858 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CXCR5 P32302 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PSMB5 P28074 2/20 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
SCHEMBL5749361 0.92 BACE1 (0.34) BACE1DGAT2MCHR1BACE2CTSB
SCHEMBL5750353 0.89 DGAT2 (0.36) BACE1DGAT2CTSBCTSLCTSS
SCHEMBL5751747 0.86 MCHR1 (0.34) BACE1DGAT2MCHR1BACE2CTSB
SCHEMBL5751020 0.85 MDM2 (0.43) BACE1MCHR1BACE2
SCHEMBL5754542 0.84 CETP (0.39) BACE1
SCHEMBL1900660 0.84 CETP (0.39) BACE1
SCHEMBL1900658 0.84 CETP (0.39) BACE1
SCHEMBL5752618 0.84 HPGDS (0.37) BACE1DGAT2MCHR1BACE2CTSB
SCHEMBL5753023 0.83 BACE1 (0.35) BACE1DGAT2MCHR1BACE2CTSB
SCHEMBL5751588 0.83 BACE1 (0.37) BACE1MCHR1BACE2CTSBCTSL

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 835/4885DGAT2 206/4885MCHR1 1618/4885

“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.