SCHEMBL6577935

SCHEMBL6577935

CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)NC1CN(C(=O)c2ccccc2)CC1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.58
CTSL P07711 10/20 0.58
CTSS P25774 7/20 0.52
CTSB P07858 4/20 0.49
CASP1 P29466 2/20 0.45
CASP3 P42574 2/20 0.45
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6578167 0.86 SIGMAR1 (0.54) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6578043 0.85 CTSK (0.51) CTSKCASP1CASP3CASP6CASP8
SCHEMBL6578154 0.79 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6578192 0.78 CTSK (0.65) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6579813 0.76 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6580581 0.76 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL6582052 0.75 SIGMAR1 (0.54) CTSKCASP1CASP3CASP6CASP8
SCHEMBL6581108 0.73 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL5099358 0.71 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL27514826 0.71 CTSK (0.57) CTSKCTSLCTSSCTSB

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 8 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
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 (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 7/4885CTSS 3/4885
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.