SCHEMBL5489908

SCHEMBL5489908

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.70
CTSD P07339 1/20 0.55
CASP8 Q14790 11/20 0.54
CASP6 P55212 10/20 0.54
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
OGG1 O15527 1/20 0.45
MBTPS1 Q14703 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5491243 0.84 CASP3 (0.87) CASP3CTSDCASP8CASP6CASP1
SCHEMBL5491249 0.84 CASP3 (0.87) CASP3CTSDCASP8CASP6CASP1
SCHEMBL6830917 0.83 CASP3 (0.48) CASP3CTSDCASP8CASP6CASP1
SCHEMBL5493580 0.83 CASP3 (0.86) CASP3CTSDCASP8CASP6CASP1
SCHEMBL5496227 0.82 CASP3 (0.75) CASP3CTSDCASP8CASP6CASP1
SCHEMBL14113089 0.82 CASP3 (0.83) CASP3CTSDCASP8CASP6CASP1
SCHEMBL8548868 0.79 CASP3 (0.69) CASP3CTSDCASP8CASP6CASP1
SCHEMBL7419603 0.79 CASP3 (0.69) CASP3CTSDCASP8CASP6CASP1
SCHEMBL7419430 0.77 CTSD (0.65) CASP3CTSDCASP8CASP6CASP1
SCHEMBL8357263 0.76 CASP3 (0.82) CASP3CASP8CASP6CASP7

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 6 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
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
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US 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 (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 3/4885CTSD 145/4885CASP8 38/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CASP3 3/4885CTSD 145/4885CASP8 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.