SCHEMBL6320137

SCHEMBL6320137

CCOC(=O)[C@H](C)NC(=O)OCc1ccccc1.NCC(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.48
CTSK P43235 5/20 0.48
CTSL P07711 4/20 0.48
CTSS P25774 3/20 0.48
CTSB P07858 2/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TPSAB1 Q15661 2/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LGMN Q99538 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL2949040 0.89 CTSK (0.57) CTSKCTSLCTSSCTSBATM
SCHEMBL2949041 0.89 CTSK (0.57) CTSKCTSLCTSSCTSBATM
SCHEMBL6897142 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBATM
SCHEMBL15080869 0.82 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL30946598 0.82 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL2959219 0.80 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL8354112 0.80 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL2959221 0.80 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL241564 0.79 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL241565 0.79 CTSK (0.61) CTSKCTSLCTSSCTSBATM

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-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 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 (1 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP METAP2 159/4885CTSK 273/4885CTSL 806/4885

“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.