SCHEMBL5488516

SCHEMBL5488516

CC(C)CC(NC(=O)C(C)Oc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 9/20 0.55
CASP1 P29466 9/20 0.55
CASP6 P55212 6/20 0.55
CASP8 Q14790 6/20 0.55
CASP7 P55210 5/20 0.55
PSMB5 P28074 1/20 0.46
ANPEP P15144 2/20 0.43
PTGS2 P35354 1/20 0.43
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL14598380 0.89 CASP1 (0.60) CASP3CASP1CASP6CASP8CASP7
SCHEMBL14598379 0.89 CASP1 (0.60) CASP3CASP1CASP6CASP8CASP7
SCHEMBL5496384 0.89 CASP1 (0.60) CASP3CASP1CASP6CASP8CASP7
SCHEMBL5494420 0.89 CASP1 (0.60) CASP3CASP1CASP6CASP8CASP7
SCHEMBL5490199 0.86 CASP3 (0.59) CASP3CASP1CASP6CASP8CASP7
SCHEMBL14598390 0.81 ANPEP (0.52) CASP3CASP1CASP6CASP8PSMB5
SCHEMBL5490065 0.81 ANPEP (0.52) CASP3CASP1CASP6CASP8PSMB5
SCHEMBL6830955 0.80 CASP1 (0.59) CASP3CASP1CASP7PSMB5ANPEP
SCHEMBL7622869 0.80 CASP3 (0.52) CASP3CASP1CASP6CASP8CASP7
SCHEMBL7416213 0.80 CASP3 (0.52) CASP3CASP1CASP6CASP8CASP7

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 3 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-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 (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-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CASP3 3/4885CASP1 5/4885CASP6 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.