SCHEMBL7204618

SCHEMBL7204618

CC(C)C[C@H](NC(=O)Cc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 18/20 0.59
CASP6 P55212 17/20 0.59
CASP8 Q14790 17/20 0.59
CLPP Q16740 2/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL14598408 0.88 CASP3 (0.60) CASP3CASP6CASP8CASP1CASP7
SCHEMBL5497139 0.88 CASP3 (0.53) CASP3CASP6CASP8
SCHEMBL7201964 0.83 CASP3 (0.48) CASP3CASP6CASP8CLPPCASP1
SCHEMBL7201963 0.83 CASP3 (0.48) CASP3CASP6CASP8CLPPCASP1
SCHEMBL6830895 0.82 CASP3 (0.43) CASP3CASP6CASP8CLPPCASP1
SCHEMBL5495594 0.75 CASP3 (0.56) CASP3CASP6CASP8CASP1CASP7
SCHEMBL5495598 0.75 CASP3 (0.56) CASP3CASP6CASP8CASP1CASP7
SCHEMBL13709296 0.75 CASP3 (0.81) CASP3CASP6CASP8
SCHEMBL14598409 0.72 CASP3 (0.58) CASP3CASP6CASP8CLPPCASP1
SCHEMBL8353758 0.71 CASP3 (0.46) CASP3CASP6CASP8CASP1CASP7

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 1 patent. 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

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 3/4885CASP6 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.