SCHEMBL6578167

SCHEMBL6578167

CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)NC1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
CTSK P43235 11/20 0.49
CTSL P07711 6/20 0.49
CTSS P25774 3/20 0.49
MCHR1 Q99705 1/20 0.47
CTSB P07858 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
CASP1 P29466 2/20 0.46
CASP3 P42574 2/20 0.46
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CTSD P07339 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44

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
SCHEMBL6577935 0.86 CTSK (0.58) SIGMAR1CTSKCTSLCTSSCTSB
SCHEMBL6578154 0.86 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6582052 0.84 SIGMAR1 (0.54) SIGMAR1CTSKMCHR1UTS2RCASP1
SCHEMBL6577984 0.78 CTSK (0.64) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6580739 0.77 CTSK (0.56) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6578370 0.76 CTSK (0.55) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6580141 0.76 CTSK (0.53) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6580544 0.76 CTSK (0.59) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6582647 0.76 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL6580957 0.76 CTSK (0.62) CTSKCTSLCTSSCTSBUTS2R

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 SIGMAR1 4645/4885CTSK 1/4885CTSL 7/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL SIGMAR1 1784/4885CTSK 100/4885CTSL 8/4885

“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.