SCHEMBL2079240

SCHEMBL2079240

CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](Cc1ccc(F)c(OC(F)F)c1)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CACNA1H O95180 1/20 0.32
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.31
RORC P51449 1/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
CTSD P07339 1/20 0.30
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30

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
SCHEMBL5139796 1.00 BACE1 (0.34) BACE1CYP4F2CYP4A11CACNA1HPDE2A
SCHEMBL2628504 0.90 PTPN1 (0.35) BACE1CYP4F2CYP4A11CACNA1HMEN1
SCHEMBL3577732 0.81 CTSS (0.42) BACE1ALDH1A1LMNAHTTPPARG
SCHEMBL1799692 0.77 CYP3A4 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL2079320 0.77 CTSB (0.42)
SCHEMBL4344357 0.73 PTGES (0.34) BACE1
SCHEMBL4344352 0.73 PTGES (0.34) BACE1
SCHEMBL4352424 0.71 KDM4E (0.35) BACE1ALDH1A1
SCHEMBL2175747 0.68 CTSS (0.42) BACE1ALDH1A1LMNAHTTPPARG
SCHEMBL12619106 0.68 FAAH (0.36) PDE2AALDH1A1

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 5 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-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 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 BACE1 1/4885CYP4F2 1741/4885CYP4A11 916/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885CYP4F2 2645/4885CYP4A11 1338/4885

“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.