SCHEMBL4014711

SCHEMBL4014711

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CASP3 P42574 1/20 0.45
LGMN Q99538 3/20 0.44
CA1 P00915 1/20 0.43
SIRT2 Q8IXJ6 5/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
SIRT1 Q96EB6 3/20 0.43
SIRT3 Q9NTG7 3/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 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
SCHEMBL4022889 0.85 LGMN (0.54) CA2CA5ACASP3LGMNCTSL
SCHEMBL4016717 0.84 CASP3 (0.51) CA2CA5ACASP3LGMNCA1
SCHEMBL4019023 0.84 CASP3 (0.50) CA2CA5ACASP3LGMNCA1
SCHEMBL4020927 0.81 CASP3 (0.48) CA2CA5ACASP3LGMNCA1
SCHEMBL4015018 0.81 CASP3 (0.55) CA2CA5ACASP3CTSL
SCHEMBL4018823 0.79 CCR1 (0.47) CA2CA5ACASP3LGMNCA1
SCHEMBL16421523 0.78 LGMN (0.67) LGMNCTSLCTSSCTSBCTSK
SCHEMBL4022177 0.77 CASP3 (0.54) CASP3LGMNCTSLCTSBCTSK
SCHEMBL4013593 0.77 CASP3 (0.55) CASP3LGMNCTSLCTSBCTSK
SCHEMBL6427219 0.76 CA2 (0.61) CA2CA5ACA1SIRT2CTSL

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 CA2 1120/4885CA5A 478/4885CASP3 487/4885

“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.