SCHEMBL7201963

SCHEMBL7201963

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.48
CASP8 Q14790 3/20 0.46
CASP6 P55212 2/20 0.46
CASP7 P55210 2/20 0.46
CASP9 P55211 1/20 0.46
CLPP Q16740 2/20 0.43
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP8 P22894 1/20 0.41
CTSL P07711 1/20 0.40
PSMB5 P28074 1/20 0.40
CASP1 P29466 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
SCHEMBL7201964 1.00 CASP3 (0.48) CASP3CASP8CASP6CASP7CASP9
SCHEMBL8353758 0.88 CASP3 (0.46) CASP3CASP8CASP6CASP7CASP9
SCHEMBL7204618 0.83 CASP3 (0.59) CASP3CASP8CASP6CASP7CLPP
SCHEMBL5495598 0.83 CASP3 (0.56) CASP3CASP8CASP6CASP7CASP9
SCHEMBL5495594 0.83 CASP3 (0.56) CASP3CASP8CASP6CASP7CASP9
SCHEMBL6832902 0.78 MME (0.39) CLPPMMEACECPA1ACE2
SCHEMBL7209157 0.78 ANPEP (0.48) CASP3CASP8CASP6CASP7CASP9
SCHEMBL7209163 0.78 ANPEP (0.48) CASP3CASP8CASP6CASP7CASP9
SCHEMBL8352136 0.74 MME (0.43) MMEACECPA1ACE2PSMB5
SCHEMBL7410124 0.74 CTSL (0.58) CASP3MMEACEMMP8CTSL

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 3/4885CASP8 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.