SCHEMBL5490199

SCHEMBL5490199

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 9/20 0.59
CASP1 P29466 9/20 0.56
CASP8 Q14790 5/20 0.56
CASP7 P55210 5/20 0.56
CASP6 P55212 4/20 0.56
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
OGG1 O15527 1/20 0.46
MAPT P10636 1/20 0.45
DAPK1 P53355 1/20 0.44
PIM3 Q86V86 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5495569 0.88 CASP3 (0.55) CASP3CASP1CASP8CASP7CASP6
SCHEMBL5488516 0.86 CASP3 (0.55) CASP3CASP1CASP8CASP7CASP6
SCHEMBL5496227 0.86 CASP3 (0.75) CASP3CASP1CASP8CASP7CASP6
SCHEMBL6830955 0.84 CASP1 (0.59) CASP3CASP1CASP7TDP1LMNA
SCHEMBL14598379 0.83 CASP1 (0.60) CASP3CASP1CASP8CASP7CASP6
SCHEMBL14598380 0.83 CASP1 (0.60) CASP3CASP1CASP8CASP7CASP6
SCHEMBL5494420 0.83 CASP1 (0.60) CASP3CASP1CASP8CASP7CASP6
SCHEMBL5496384 0.83 CASP1 (0.60) CASP3CASP1CASP8CASP7CASP6
SCHEMBL5488547 0.82 ANPEP (0.51) CASP1KDM4ETDP1MAPTMEN1
SCHEMBL7467278 0.81 CASP3 (0.53) CASP3CASP1CASP8CASP7CASP6

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 8 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-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-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 3/4885CASP1 5/4885CASP8 38/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CASP3 3/4885CASP1 5/4885CASP8 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.