SCHEMBL1799808

SCHEMBL1799808

CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](Cc1cccc2c1OCO2)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.38
FAAH O00519 1/20 0.37
EED O75530 1/20 0.36
ALKBH1 Q13686 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PREP P48147 1/20 0.34
MTNR1A P48039 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MT-CO2 P00403 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ECE1 P42892 2/20 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
SCHEMBL2769287 0.85 FAAH (0.36) KDM4CFAAHEEDALKBH1SMN1; SMN2
SCHEMBL1799692 0.83 CYP3A4 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL2769284 0.80 ALKBH1 (0.33) KDM4CFAAHEEDALKBH1SMN1; SMN2
SCHEMBL3577732 0.74 CTSS (0.42) ALDH1A1NPSR1
SCHEMBL2079320 0.74 CTSB (0.42) FAAH
SCHEMBL4344352 0.73 PTGES (0.34)
SCHEMBL4344357 0.73 PTGES (0.34)
SCHEMBL2628499 0.73 CYP3A4 (0.43) SMN1; SMN2NPSR1
SCHEMBL15304448 0.73 CYP3A4 (0.43) SMN1; SMN2NPSR1
SCHEMBL1797556 0.72

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 6 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-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 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 (3 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 KDM4C 530/4885FAAH 333/4885EED 1762/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KDM4C 2483/4885FAAH 774/4885EED 3760/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4C 794/4885FAAH 242/4885EED 1867/4885

“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.