SCHEMBL4356102

SCHEMBL4356102

CC(C)(C)[Si](C)(C)O[C@H](C=O)C(Cc1cccc(C#C[Si](C)(C)C)c1)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 17/20 0.34
CYP3A4 P08684 1/20 0.32
BACE1 P56817 1/20 0.32
ALK Q9UM73 1/20 0.31

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
SCHEMBL4356095 1.00 PTGES (0.34) PTGESCYP3A4BACE1ALK
SCHEMBL4344352 0.86 PTGES (0.34) PTGESCYP3A4BACE1
SCHEMBL4344357 0.86 PTGES (0.34) PTGESCYP3A4BACE1
SCHEMBL2079852 0.85 CYP3A4 (0.35) PTGESCYP3A4BACE1ALK
SCHEMBL2078007 0.84 PTGES (0.35) PTGESCYP3A4BACE1
SCHEMBL924796 0.84 ATM (0.39) BACE1
SCHEMBL924795 0.84 ATM (0.39) BACE1
SCHEMBL3572220 0.83 CTSS (0.42) BACE1
SCHEMBL2079851 0.81 PTGES (0.34) PTGES
SCHEMBL2079855 0.81 PTGES (0.34) PTGES

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-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US 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 (2 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP PTGES 2355/4885CYP3A4 806/4885BACE1 1/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PTGES 3401/4885CYP3A4 1411/4885BACE1 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.