SCHEMBL7205795

SCHEMBL7205795

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.63
CASP3 P42574 5/20 0.52
TDP1 Q9NUW8 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL6928398 0.88 CASP1 (0.65) CASP1CASP3
SCHEMBL6830955 0.85 CASP1 (0.59) CASP1CASP3TDP1LMNA
SCHEMBL6832920 0.85 CASP3 (0.59) CASP1CASP3TDP1CASP6CASP8
SCHEMBL5496227 0.83 CASP3 (0.75) CASP1CASP3TDP1CASP6CASP8
SCHEMBL8356276 0.83 CASP3 (0.57) CASP1CASP3TDP1CASP6CASP8
SCHEMBL6832897 0.81 CASP3 (0.61) CASP1CASP3CASP6CASP8
SCHEMBL6832898 0.81 CASP3 (0.61) CASP1CASP3CASP6CASP8
SCHEMBL6830917 0.81 CASP3 (0.48) CASP1CASP3TDP1CASP6CASP8
SCHEMBL16312242 0.80 LMNA (0.54) TDP1LMNA
SCHEMBL14598421 0.80 CASP3 (0.62) CASP1CASP3TDP1CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CASP1 5/4885CASP3 3/4885TDP1 1003/4885

“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.