SCHEMBL432838

SCHEMBL432838

CC(C)(C)OC(=O)CC(N)N(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MCL1 Q07820 1/20 0.36
HDAC1 Q13547 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CDK1 P06493 1/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
SYK P43405 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
LTA4H P09960 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL432837 0.85 CCNE2 (0.37) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL430210 0.82 CCNE2 (0.38) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL434178 0.79 HDAC1 (0.34) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL434582 0.79 CDK1 (0.43) HDAC1NPC1RAB9ACDK1TP53
SCHEMBL10077231 0.79 TSHR (0.43) HDAC1NPC1RAB9ACDK1TP53
SCHEMBL13037056 0.78 CCNE2 (0.37) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL434638 0.76 TLR7 (0.36) CCNE2CCNE1CDK2MCL1SYK
SCHEMBL7590252 0.76 CCNE2 (0.37) CCNE2CCNE1CDK2MCL1
SCHEMBL15235929 0.76 CCNE2 (0.37) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL431129 0.74 CCNE2 (0.40) CCNE2CCNE1CDK2MCL1HDAC1

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-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
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 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 (2 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-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE CCNE2 3143/4885CCNE1 3451/4885CDK2 3500/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 CCNE2 3214/4885CCNE1 3336/4885CDK2 3802/4885

“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.