SCHEMBL6580257

SCHEMBL6580257

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
CTSS P25774 2/20 0.55
UTS2R Q9UKP6 2/20 0.52
CASP1 P29466 2/20 0.44
CASP3 P42574 1/20 0.44
CCR1 P32246 2/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CNR2 P34972 1/20 0.40
RAB9A P51151 1/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL6584216 0.92 CTSK (0.57) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6577864 0.87 CTSK (0.52) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6577927 0.86 CASP1 (0.59) CTSKUTS2RCASP1CASP3CCR1
SCHEMBL6577775 0.86 UTS2R (0.63) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6580365 0.84 UTS2R (0.55) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6581761 0.84 CTSK (0.63) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6581108 0.82 CTSK (0.65) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6580430 0.81 UTS2R (0.57) CTSKCTSLCTSBCTSSUTS2R
SCHEMBL6578010 0.79 CTSK (0.84) CTSKCTSLCTSBCTSS
SCHEMBL6583815 0.78 CASP1 (0.62) CTSKCTSLCASP1CASP3CAPN1

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 7/4885CTSB 5/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885CTSB 60/4885

“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.