Sugi Predict

Sugi Predict / Compounds / SCHEMBL459081

SCHEMBL459081

SCHEMBL459081

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NCCCNC(=O)OCc3ccccc3)[nH]c(=O)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL460716 0.94 MAPT (0.36) MAPTL3MBTL1POLBMAPK1BRD4
SCHEMBL430139 0.92 CKS1B (0.36) MAPTL3MBTL1POLBMAPK1CCNE2
SCHEMBL3669585 0.90 CKS1B (0.34) MAPTL3MBTL1CCNE2CCNE1CDK2
SCHEMBL15235916 0.87 CKS1B (0.35) BRD4CCNE2CCNE1CDK2CKS1B
SCHEMBL434581 0.86 CKS1B (0.33) BRD4CCNE2CCNE1CDK2CKS1B
SCHEMBL10077228 0.86 SYK (0.36) MAPTL3MBTL1POLBMAPK1CCNE2
SCHEMBL431129 0.86 CCNE2 (0.40) MAPTBRD4CCNE2CCNE1CDK2
SCHEMBL13074134 0.84 SYK (0.36) MAPTL3MBTL1POLBMAPK1CCNE2
SCHEMBL3669146 0.84 RXFP1 (0.34) MAPTL3MBTL1CCNE2CCNE1CDK2
SCHEMBL13074310 0.84 CKS1B (0.36) MAPTL3MBTL1POLBMAPK1CCNE2

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 6 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
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 MAPT 3817/4885L3MBTL1 163/4885POLB 15/4885

“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.