SCHEMBL6581280

SCHEMBL6581280

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(C(=O)c2ccccc2)CC1O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.61
CTSL P07711 5/20 0.46
MAPK1 P28482 1/20 0.46
REN P00797 2/20 0.46
CTSS P25774 3/20 0.44
CTSB P07858 1/20 0.44
TLR2 O60603 6/20 0.44
TLR1 Q15399 6/20 0.44
CASP3 P42574 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL5092818 0.90 CTSK (0.57) CTSKCTSLMAPK1CTSS
SCHEMBL5092831 0.90 CTSK (0.57) CTSKCTSLMAPK1CTSS
SCHEMBL6582059 0.85 CTSK (0.76) CTSKCTSLMAPK1CTSSCTSB
SCHEMBL6581041 0.84 CTSK (0.88) CTSKCTSLMAPK1CTSSCTSB
SCHEMBL6579813 0.82 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6580320 0.82 CTSK (0.82) CTSKCTSLCTSSCTSB
SCHEMBL6578042 0.81 CTSK (0.54) CTSKCTSLCTSSCTSBCASP3
SCHEMBL5096549 0.81 CTSK (0.56) CTSKCTSLMAPK1CTSS
SCHEMBL5096557 0.81 CTSK (0.56) CTSKCTSLMAPK1CTSS
SCHEMBL6580495 0.80 CTSK (0.77) CTSKCTSLMAPK1CTSSCTSB

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-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US claimed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US claimed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
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

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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CTSK 1/4885CTSL 7/4885MAPK1 706/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885MAPK1 3140/4885

“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.