SCHEMBL5495598

SCHEMBL5495598

CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CF

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.56
CASP6 P55212 8/20 0.56
CASP8 Q14790 8/20 0.56
CASP7 P55210 4/20 0.56
CASP1 P29466 3/20 0.56
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 2/20 0.46
CASP9 P55211 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5495594 1.00 CASP3 (0.56) CASP3CASP6CASP8CASP7CASP1
SCHEMBL14598409 0.88 CASP3 (0.58) CASP3CASP6CASP8CASP7CASP1
SCHEMBL14598408 0.87 CASP3 (0.60) CASP3CASP6CASP8CASP7CASP1
SCHEMBL7201964 0.83 CASP3 (0.48) CASP3CASP6CASP8CASP7CASP1
SCHEMBL7201963 0.83 CASP3 (0.48) CASP3CASP6CASP8CASP7CASP1
SCHEMBL7418205 0.80 LMNA (0.53) CASP3CASP6CASP8CASP7CASP1
SCHEMBL14598394 0.77 CASP3 (0.56) CASP3CASP6CASP8CASP7CASP1
SCHEMBL7204618 0.75 CASP3 (0.59) CASP3CASP6CASP8CASP7CASP1
SCHEMBL14598405 0.75 CASP3 (0.64) CASP3CASP6CASP8CASP7CASP1
SCHEMBL5491249 0.74 CASP3 (0.87) CASP3CASP6CASP8CASP7CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
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
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 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 (2 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
US-20040259804-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.