SCHEMBL6830886

SCHEMBL6830886

CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.49
CASP8 Q14790 12/20 0.44
CASP6 P55212 9/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5493968 0.86 CASP3 (0.68) CASP3CASP8CASP6CASP1CASP7
SCHEMBL8411027 0.78 CASP1 (0.47) CASP3CASP8CASP6CASP1
SCHEMBL6832898 0.77 CASP3 (0.61) CASP3CASP8CASP6CASP1CASP7
SCHEMBL6832897 0.77 CASP3 (0.61) CASP3CASP8CASP6CASP1CASP7
SCHEMBL6832920 0.76 CASP3 (0.59) CASP3CASP8CASP6CASP1CASP7
SCHEMBL7427132 0.76 CASP1 (0.51) CASP3CASP8CASP1CASP7
SCHEMBL7382193 0.76 CYP2D6 (0.40) CASP3CASP8CTSSCTSKCASP1
SCHEMBL10074125 0.76 CASP3 (0.49) CASP3CASP8CASP6CTSSCTSK
SCHEMBL20471685 0.76 CASP1 (0.51) CASP3CASP8CASP1CASP7
SCHEMBL626800 0.76 CASP3 (0.49) CASP3CASP8CASP6CTSSCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO 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 (1 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-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CASP3 3/4885CASP8 38/4885CASP6 26/4885

“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.