SCHEMBL4022889

SCHEMBL4022889

CCOC(=O)/C=C/C(=O)N(CC(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.54
CASP3 P42574 2/20 0.51
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
CTSL P07711 6/20 0.49
CTSB P07858 4/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 1/20 0.46
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 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
SCHEMBL4022177 0.91 CASP3 (0.54) LGMNCASP3CASP1CASP4CASP7
SCHEMBL4013593 0.91 CASP3 (0.55) LGMNCASP3CASP1CASP4CASP7
SCHEMBL4016717 0.88 CASP3 (0.51) LGMNCASP3CASP1CASP7CASP9
SCHEMBL4019023 0.87 CASP3 (0.50) LGMNCASP3CASP1CASP7CASP9
SCHEMBL4020927 0.85 CASP3 (0.48) LGMNCASP3CASP1CASP7CASP9
SCHEMBL4014711 0.85 CA2 (0.45) LGMNCASP3CTSLCTSBCTSS
SCHEMBL4018823 0.83 CCR1 (0.47) LGMNCASP3CTSLCTSBCTSS
SCHEMBL4014017 0.82 CASP3 (0.48) LGMNCASP3CASP1CASP4CASP7
SCHEMBL13938893 0.81 LGMN (0.79) LGMNCASP3CASP1CASP4CASP7
SCHEMBL12022495 0.81 LGMN (0.79) LGMNCASP3CASP1CASP4CASP7

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 LGMN 127/4885CASP3 487/4885CASP1 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.