SCHEMBL1799693

SCHEMBL1799693

CC(C)(C)OC(=O)N[C@@H](Cc1cc(Cl)c2c(c1)OCO2)C(=O)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
CTSL P07711 3/20 0.36
F11 P03951 2/20 0.34
MAPK8 P45983 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
ACE P12821 1/20 0.33
CTSB P07858 1/20 0.32
PTPN1 P18031 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN9A Q15858 1/20 0.32
CMA1 P23946 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL1799689 1.00 CTSK (0.36) CTSKCTSSCTSLF11MAPK8
SCHEMBL1797443 0.86 CMA1 (0.38) F11MAPK8MMP2MMP3MMP7
SCHEMBL5126789 0.83 CTSK (0.36) CTSKCTSSCTSLCYP3A4SCN9A
SCHEMBL2768616 0.77 MAPK8 (0.33) MAPK8TDP1
SCHEMBL13093610 0.76 CTSS (0.55) CTSKCTSSCTSLMMP2MMP3
SCHEMBL8089159 0.75 ITGB3 (0.44) CTSKCTSSCTSLMMP2MMP3
SCHEMBL5155444 0.72 CTSS (0.48) CTSKCTSSCTSLMMP2MMP3
SCHEMBL2768617 0.72 GRM5 (0.39)
SCHEMBL2628498 0.71 NPC1 (0.33) CTSKCTSL
SCHEMBL1797872 0.70 NPC1 (0.37) CYP3A4

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-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
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO 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 CTSK 946/4885CTSS 229/4885CTSL 587/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 CTSK 1029/4885CTSS 253/4885CTSL 707/4885

“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.