SCHEMBL7419147

SCHEMBL7419147

CC(C)[C@H](NC(=O)CCOc1ccccc1)C(=O)[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)C(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.45
CASP6 P55212 19/20 0.45
CASP8 Q14790 19/20 0.45
CASP7 P55210 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
SCHEMBL6831408 0.89 CASP3 (0.50) CASP3CASP6CASP8CASP7
SCHEMBL6831425 0.80 CTSV (0.45) CASP3CASP6CASP8CASP7
SCHEMBL7200874 0.70 CASP3 (0.40) CASP3CASP6CASP8CASP7
SCHEMBL7201965 0.69 CASP3 (0.77) CASP3CASP6CASP8CASP7
SCHEMBL26616368 0.66 CYP1A2 (0.58)
SCHEMBL26616374 0.66 CYP1A2 (0.58)
SCHEMBL7404706 0.66 CASP3 (0.57) CASP3CASP6CASP8CASP7
SCHEMBL8258564 0.66 CYP1A2 (0.61)
SCHEMBL25985226 0.66 KDM4E (0.52) CASP3CASP6CASP8CASP7
SCHEMBL6830923 0.64 LMNA (0.42) CASP3CASP7

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
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 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-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CASP3 3/4885CASP6 26/4885CASP8 38/4885

“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.