SCHEMBL6582052

SCHEMBL6582052

CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
CASP1 P29466 6/20 0.50
CASP3 P42574 6/20 0.50
CASP6 P55212 5/20 0.49
CASP8 Q14790 5/20 0.49
MCHR1 Q99705 5/20 0.48
CTSK P43235 2/20 0.47
UTS2R Q9UKP6 1/20 0.47
CAPNS1 P04632 1/20 0.45
CAPN1 P07384 1/20 0.45
CASP7 P55210 4/20 0.44
CTSD P07339 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 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
SCHEMBL6578043 0.86 CTSK (0.51) SIGMAR1CASP1CASP3CASP6CASP8
SCHEMBL6577566 0.86 CTSK (0.56) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6578167 0.84 SIGMAR1 (0.54) SIGMAR1CASP1CASP3CASP6CASP8
SCHEMBL6582257 0.78 CASP3 (0.53) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6578205 0.78 CASP1 (0.61) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6580859 0.77 GRN (0.55) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6577962 0.76 CASP1 (0.54) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6578490 0.76 CTSK (0.48) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6578107 0.76 UTS2R (0.52) CASP1CASP3CASP6CASP8CTSK
SCHEMBL6580809 0.76 CTSK (0.58) CTSKUTS2RCAPN1

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 4645/4885CASP1 131/4885CASP3 590/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL SIGMAR1 1784/4885CASP1 144/4885CASP3 171/4885

“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.