SCHEMBL7404706

SCHEMBL7404706

CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)C(C(=O)CF)C(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 8/20 0.57
CASP8 Q14790 5/20 0.48
CASP1 P29466 4/20 0.48
CASP7 P55210 4/20 0.48
OGG1 O15527 1/20 0.47
CTSD P07339 1/20 0.47
MBTPS1 Q14703 1/20 0.47
CASP6 P55212 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DAPK1 P53355 1/20 0.41
PIM3 Q86V86 1/20 0.41
TRPM4 Q8TD43 1/20 0.39
MAPT P10636 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
SCHEMBL6830923 0.83 LMNA (0.42) CASP3CASP1CASP7CTSDMEN1
SCHEMBL8548868 0.81 CASP3 (0.69) CASP3CASP8CASP1CASP7OGG1
SCHEMBL7419603 0.81 CASP3 (0.69) CASP3CASP8CASP1CASP7OGG1
SCHEMBL5491249 0.78 CASP3 (0.87) CASP3CASP8CASP1CASP7CTSD
SCHEMBL5491243 0.78 CASP3 (0.87) CASP3CASP8CASP1CASP7CTSD
SCHEMBL7418205 0.76 LMNA (0.53) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7467278 0.76 CASP3 (0.53) CASP3CASP8CASP1CASP7OGG1
SCHEMBL8547788 0.74 OGG1 (0.62) CASP3CASP8CASP1CASP7OGG1
SCHEMBL8547790 0.74 OGG1 (0.62) CASP3CASP8CASP1CASP7OGG1
SCHEMBL8544998 0.74 CASP3 (0.60) CASP3CASP8CASP1CASP7OGG1

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 3/4885CASP8 38/4885CASP1 5/4885

“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.