SCHEMBL6578205

SCHEMBL6578205

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.61
CASP3 P42574 6/20 0.61
CTSK P43235 7/20 0.55
CAPN1 P07384 1/20 0.53
CASP6 P55212 5/20 0.51
CASP8 Q14790 4/20 0.51
CASP7 P55210 4/20 0.51
DRD4 P21917 2/20 0.49
SLC6A12 P48065 1/20 0.49
SLC6A13 Q9NSD5 1/20 0.49
CCR1 P32246 1/20 0.47
UTS2R Q9UKP6 2/20 0.46
CTSB P07858 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL6577962 0.94 CASP1 (0.54) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6581051 0.92 CASP1 (0.59) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6580859 0.90 GRN (0.55) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6580537 0.89 TAS1R3 (0.55) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6578118 0.87 CTSK (0.51) CASP1CASP3CTSKCAPN1DRD4
SCHEMBL6580336 0.86 CASP1 (0.51) CASP1CASP3CTSKCAPN1DRD4
SCHEMBL6578107 0.85 UTS2R (0.52) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6578490 0.85 CTSK (0.48) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6583815 0.85 CASP1 (0.62) CASP1CASP3CTSKCAPN1CASP6
SCHEMBL6580430 0.84 UTS2R (0.57) CASP1CASP3CTSKCAPN1CCR1

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.