SCHEMBL4017547

SCHEMBL4017547

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.58
CASP7 P55210 14/20 0.58
CASP1 P29466 8/20 0.58
CASP9 P55211 6/20 0.58
CASP10 Q92851 3/20 0.48
CASP4 P49662 3/20 0.48
CASP8 Q14790 2/20 0.48
CASP5 P51878 1/20 0.46
CASP6 P55212 1/20 0.46
CTSB P07858 1/20 0.43
CTSK P43235 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
SCHEMBL4022491 0.92 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP10
SCHEMBL20760721 0.90 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP10
SCHEMBL20603601 0.90 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP10
SCHEMBL20740998 0.90 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP10
SCHEMBL4021111 0.89 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP10
SCHEMBL4015018 0.88 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP10
SCHEMBL4013593 0.87 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP10
SCHEMBL22649173 0.86 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP10
SCHEMBL13938861 0.86 CASP3 (0.54) CASP3CASP7CASP1CASP9CASP10
SCHEMBL4020269 0.86 CASP3 (0.53) CASP3CASP7CASP1CASP9CASP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP CASP3 487/4885CASP7 1097/4885CASP1 927/4885

“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.