SCHEMBL4344533

SCHEMBL4344533

CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cn1ccnc1)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.37
RAB9A P51151 1/20 0.35
TBXAS1 P24557 3/20 0.34
KDM4E B2RXH2 1/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5140688 1.00 CYP26A1 (0.37) CYP26A1RAB9ATBXAS1KDM4EFDPS
SCHEMBL4344536 1.00 CYP26A1 (0.37) CYP26A1RAB9ATBXAS1KDM4EFDPS
SCHEMBL2628557 0.89 AGTR2 (0.36) CYP26A1RAB9AKDM4EFDPSMEN1
SCHEMBL2078475 0.80 CYP26A1 (0.37) CYP26A1RAB9ATBXAS1FDPSALDH1A1
SCHEMBL2078473 0.79 TBXAS1 (0.33) CYP26A1RAB9ATBXAS1FDPSALDH1A1
SCHEMBL2078476 0.79 TBXAS1 (0.33) CYP26A1RAB9ATBXAS1FDPSALDH1A1
SCHEMBL4348502 0.77
SCHEMBL4348491 0.77
SCHEMBL2678665 0.69
SCHEMBL2678670 0.69

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 4 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
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO 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 CYP26A1 504/4885RAB9A 1748/4885TBXAS1 1624/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CYP26A1 768/4885RAB9A 1058/4885TBXAS1 1633/4885

“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.