SCHEMBL6577927

SCHEMBL6577927

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.59
CASP3 P42574 5/20 0.59
CTSK P43235 7/20 0.55
CASP6 P55212 4/20 0.49
CASP8 Q14790 4/20 0.49
CASP7 P55210 3/20 0.49
CAPN1 P07384 3/20 0.48
CCR1 P32246 2/20 0.46
UTS2R Q9UKP6 1/20 0.45
PIN1 Q13526 1/20 0.44
CAPNS1 P04632 1/20 0.43
DRD4 P21917 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
SCHEMBL6583815 0.92 CASP1 (0.62) CASP1CASP3CTSKCASP6CASP8
SCHEMBL6577864 0.87 CTSK (0.52) CASP1CASP3CTSKCASP6CASP8
SCHEMBL6580257 0.86 CTSK (0.55) CASP1CASP3CTSKCAPN1CCR1
SCHEMBL6581051 0.85 CASP1 (0.59) CASP1CASP3CTSKCASP6CASP8
SCHEMBL5096684 0.83 CTSK (0.51) CASP1CASP3CTSKCAPN1CCR1
SCHEMBL5096679 0.83 CTSK (0.51) CASP1CASP3CTSKCAPN1CCR1
SCHEMBL6580161 0.83 CTSK (0.66) CASP1CASP3CTSK
SCHEMBL6578205 0.81 CASP1 (0.61) CASP1CASP3CTSKCASP6CASP8
SCHEMBL6578192 0.81 CTSK (0.65) CASP1CASP3CTSK
SCHEMBL6630009 0.80 CTSK (0.55) CTSKUTS2R

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 CASP1 131/4885CASP3 590/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CASP1 144/4885CASP3 171/4885CTSK 100/4885

“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.