SCHEMBL835720

SCHEMBL835720

COc1ccc(COC(c2ccccc2)(c2ccccc2)C2CC(n3ccc(NC(=O)OC(C)(C)C)nc3=O)OC2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ABL1 P00519 2/20 0.39
RIN1 Q13671 2/20 0.39
NT5E P21589 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR9 Q9NR96 1/20 0.33
P2RY2 P41231 3/20 0.33
P2RY4 P51582 3/20 0.33
P2RY6 Q15077 3/20 0.33
MKNK2 Q9HBH9 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
TP53 P04637 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
SCHEMBL837609 0.89 POLB (0.38) POLBABL1RIN1NT5EMEN1
SCHEMBL836805 0.88 POLB (0.37) POLBABL1RIN1NT5EMEN1
SCHEMBL838370 0.87 POLB (0.36) POLBABL1RIN1NT5EMEN1
SCHEMBL874315 0.83 POLB (0.49) POLBABL1RIN1NT5EP2RY2
SCHEMBL12197508 0.79 POLB (0.43) POLBABL1RIN1NT5EP2RY2
SCHEMBL4704898 0.78 POLB (0.37) POLBABL1RIN1NT5EP2RY2
SCHEMBL835719 0.78 POLB (0.46) POLBABL1RIN1NT5EMEN1
SCHEMBL22625658 0.77 POLB (0.53) POLBABL1RIN1NT5E
SCHEMBL16350596 0.75 POLB (0.40) POLBABL1RIN1NT5EP2RY2
SCHEMBL837389 0.75 POLB (0.40) POLBABL1RIN1NT5EP2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143396-B2 1-[2′, 3′ -dideoxy-3′ C- (hydroxymethyl)—beta-D-erythro-pentofuranosyl] cytosine derivatives as HIV inhibitors MEDIVIR AB (SE) 2012-03-27 US disclosed
US-20110112294-A1 1-[2', 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7888367-B2 reverse transcriptase mutants which allow an obligate chain terminating nucleoside- or nucleotide phosphate to be excised from the nascent DNA strand by ATP- or pyrophosphate-mediated excision MEDIVIR AB (SE) 2011-02-15 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-20110112294-A1 1-[2', 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS NUDT1, RRM2, TYMP POLB 16/4885ABL1 4053/4885RIN1 779/4885

“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.