SCHEMBL5490065

SCHEMBL5490065

CC(C)CC(NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.52
PSMB5 P28074 2/20 0.49
CASP1 P29466 8/20 0.48
CASP3 P42574 2/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CAPN1 P07384 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB2 P49721 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
SCHEMBL14598390 1.00 ANPEP (0.52) ANPEPPSMB5CASP1CASP3CASP6
SCHEMBL5491095 0.87 ANPEP (0.47) ANPEPPSMB5CASP1CASP3CASP6
SCHEMBL14582929 0.86 ANPEP (0.57) ANPEPPSMB5CASP1CASP3CASP6
SCHEMBL5488547 0.85 ANPEP (0.51) ANPEPPSMB5CASP1MEN1MAPT
SCHEMBL5488516 0.81 CASP3 (0.55) ANPEPPSMB5CASP1CASP3CASP6
SCHEMBL6830955 0.81 CASP1 (0.59) ANPEPPSMB5CASP1CASP3TDP1
SCHEMBL5490199 0.79 CASP3 (0.59) CASP1CASP3CASP6CASP8MEN1
SCHEMBL7672483 0.79 ANPEP (0.48) ANPEPPSMB5MEN1MAPTKMT2A
SCHEMBL7625305 0.79 ANPEP (0.48) ANPEPPSMB5MEN1MAPTKMT2A
SCHEMBL14598380 0.78 CASP1 (0.60) ANPEPPSMB5CASP1CASP3CASP6

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 ANPEP 102/4885PSMB5 1184/4885CASP1 5/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 ANPEP 102/4885PSMB5 1184/4885CASP1 5/4885

“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.