SCHEMBL5752646

SCHEMBL5752646

CC(C)c1cccc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.43
CTSD P07339 2/20 0.43
BCHE P06276 2/20 0.40
PSMB5 P28074 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
DGAT2 Q96PD7 2/20 0.36
CTSB P07858 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PYGL P06737 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
SCHEMBL5751803 0.90 MEN1 (0.38) BACE1PSMB5KDM4EALDH1A1BACE2
SCHEMBL5752618 0.88 HPGDS (0.37) BACE1PSMB5KDM4EALDH1A1BACE2
SCHEMBL5753023 0.88 BACE1 (0.35) BACE1CTSDPSMB5KDM4EALDH1A1
SCHEMBL5752370 0.88 BACE1 (0.41) BACE1PSMB5KDM4EALDH1A1BACE2
SCHEMBL7122508 0.87 ALDH1A1 (0.41) BACE1PSMB5KDM4EALDH1A1BACE2
SCHEMBL5751588 0.86 BACE1 (0.37) BACE1CTSDBCHEPSMB5BACE2
SCHEMBL5751020 0.86 MDM2 (0.43) BACE1CTSDBCHEBACE2
SCHEMBL5752714 0.85 PPARG (0.39) BACE1
SCHEMBL5755540 0.83 MAPK14 (0.41) BACE1CTSD
SCHEMBL5749273 0.83 BACE1 (0.37) BACE1BACE2

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 835/4885CTSD 4290/4885BCHE 334/4885

“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.