SCHEMBL2079320

SCHEMBL2079320

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
PTGES O14684 1/20 0.38
CTSL P07711 2/20 0.36
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RIPK1 Q13546 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FOLH1 Q04609 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL3577732 0.87 CTSS (0.42) CTSSCTSKHSD17B10
SCHEMBL4344352 0.83 PTGES (0.34) PTGESFOLH1
SCHEMBL4344357 0.83 PTGES (0.34) PTGESFOLH1
SCHEMBL1799692 0.79 CYP3A4 (0.45)
SCHEMBL20702622 0.77 PPARA (0.44) CTSBCTSSCTSKPTGESHSD17B10
SCHEMBL20702623 0.77 PPARA (0.44) CTSBCTSSCTSKPTGESHSD17B10
SCHEMBL2079240 0.77 BACE1 (0.34)
SCHEMBL5139796 0.77 BACE1 (0.34)
SCHEMBL30595464 0.74 RIPK1 (0.40) CTSBCTSSCTSKMAOAMAOB
SCHEMBL1799808 0.74 KDM4C (0.38) FAAH

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-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

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 CTSB 147/4885CTSS 229/4885CTSK 946/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CTSB 166/4885CTSS 155/4885CTSK 658/4885

“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.