SCHEMBL6582059

SCHEMBL6582059

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.76
CTSL P07711 9/20 0.56
CTSS P25774 7/20 0.56
CTSB P07858 3/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL6581041 0.93 CTSK (0.88) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580320 0.93 CTSK (0.82) CTSKCTSLCTSSCTSB
SCHEMBL6580495 0.92 CTSK (0.77) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4686405 0.91 CTSK (0.70) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4686404 0.91 CTSK (0.70) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580683 0.88 CTSK (0.89) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580629 0.86 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6580628 0.86 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6580797 0.86 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4328786 0.86 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1

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
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP disclosed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP disclosed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 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-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885CTSS 4/4885

“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.