SCHEMBL434581

SCHEMBL434581

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NCCC[N+](C)(C)C)[nH]c(=O)nc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
BRD4 O60885 2/20 0.30

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
SCHEMBL458765 0.92 HPRT1 (0.34) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL15235916 0.91 CKS1B (0.35) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL459081 0.86 MAPT (0.37) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL13037053 0.86 CKS1B (0.35) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL431141 0.84 CCNE2 (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL432421 0.84 CKS1B (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL10078207 0.83 CKS1B (0.34) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL430139 0.81 CKS1B (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL460716 0.80 MAPT (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL10078205 0.79 HPRT1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 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-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 CKS1B 1491/4885SKP1 4052/4885SKP2 2173/4885

“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.