SCHEMBL4020927

SCHEMBL4020927

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CC(=O)O)C(=O)/C=C/CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CTSL P07711 5/20 0.46
CTSB P07858 5/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
LGMN Q99538 4/20 0.45
CA1 P00915 1/20 0.44
CTSD P07339 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL4016717 0.88 CASP3 (0.51) CASP3CA2CA5ACTSLCTSB
SCHEMBL4019023 0.87 CASP3 (0.50) CASP3CA2CA5ACTSLCTSB
SCHEMBL4022889 0.85 LGMN (0.54) CASP3CA2CA5ACTSLCTSB
SCHEMBL4018823 0.83 CCR1 (0.47) CASP3CA2CA5ACTSLCTSB
SCHEMBL4014711 0.81 CA2 (0.45) CASP3CA2CA5ACTSLCTSB
SCHEMBL4022177 0.77 CASP3 (0.54) CASP3CTSLCTSBCTSKLGMN
SCHEMBL4013593 0.77 CASP3 (0.55) CASP3CTSLCTSBCTSKLGMN
SCHEMBL4021111 0.77 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP6
SCHEMBL4022491 0.76 CASP3 (0.60) CASP3CTSBCTSKCASP1CASP7
SCHEMBL4015018 0.76 CASP3 (0.55) CASP3CA2CA5ACTSLCASP1

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-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
EP-1723124-A1 PROPENOYL HYDRAZIDES Georgia Tech Research Corporation (US) 2006-11-22 EP 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
WO-2005080353-A1 PROPENOYL HYDRAZIDES GEORGIA TECH RESEARCH CORPORATION (US) 2005-09-01 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 (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 487/4885CA2 1120/4885CA5A 478/4885

“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.