SCHEMBL6697386

SCHEMBL6697386

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
SCN9A Q15858 5/20 0.49
ACE P12821 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MAPK1 P28482 1/20 0.47
CTSS P25774 4/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL6697388 1.00 CTSK (0.57) CTSKL3MBTL1SCN9AACEITGB3
SCHEMBL4686404 0.92 CTSK (0.70) CTSKMAPK1CTSSCTSLCTSB
SCHEMBL4686405 0.92 CTSK (0.70) CTSKMAPK1CTSSCTSLCTSB
SCHEMBL5105243 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL5105237 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL5983043 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL5983052 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL5099282 0.90 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL27537673 0.90 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL4791190 0.88 PDE4B (0.54) CTSKL3MBTL1ITGB3ITGA2BCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192674-A1 Cathepsin L inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 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 (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-20040192674-A1 Cathepsin L inhibitors CTSE, CTSV, CTSL CTSK 9/4885L3MBTL1 1119/4885SCN9A 4229/4885

“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.