SCHEMBL837609

SCHEMBL837609

COc1ccc(COC(c2ccccc2)(c2ccccc2)C2CC(n3ccc(NC(=O)OC(C)(C)C)nc3=O)OC2COC(=O)CCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
NT5E P21589 2/20 0.35
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY6 Q15077 6/20 0.32
P2RY2 P41231 4/20 0.32
P2RY4 P51582 4/20 0.32
CACNA1B Q00975 1/20 0.31
TLR9 Q9NR96 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
P2RY14 Q15391 1/20 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
SCHEMBL836805 0.96 POLB (0.37) POLBNT5EABL1RIN1MEN1
SCHEMBL835720 0.89 POLB (0.46) POLBNT5EABL1RIN1MEN1
SCHEMBL837389 0.86 POLB (0.40) POLBNT5EABL1RIN1P2RY6
SCHEMBL12197787 0.86 POLB (0.40) POLBNT5EABL1RIN1P2RY6
SCHEMBL838370 0.82 POLB (0.36) POLBNT5EABL1RIN1MEN1
SCHEMBL10095196 0.82 POLB (0.39) POLBNT5EABL1RIN1P2RY6
SCHEMBL837611 0.79 POLB (0.46) POLBNT5EABL1RIN1P2RY6
SCHEMBL12579728 0.79 POLB (0.46) POLBNT5EABL1RIN1P2RY6
SCHEMBL836118 0.79 POLB (0.46) POLBNT5EABL1RIN1P2RY6
SCHEMBL14066270 0.78 POLB (0.41) POLBNT5EABL1RIN1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336135-A2 1-[2',3'-dideoxy-3'c-(hydroxymethyl)- beta-d-erythro-pentofuranosyl]cytosine derivatives as HIV inhibitors Medivir AB (SE) 2011-06-22 EP claimed
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
EP-1899352-B1 1- [2' , 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS MEDIVIR AB (SE) 2011-10-05 EP disclosed
EP-2336135-A2 1-[2',3'-dideoxy-3'c-(hydroxymethyl)- beta-d-erythro-pentofuranosyl]cytosine derivatives as HIV inhibitors Medivir AB (SE) 2011-06-22 EP 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
US-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv MEDIVIR AB (SE) 2008-09-11 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-20110112294-A1 1-[2', 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS NUDT1, RRM2, TYMP POLB 16/4885NT5E 277/4885ABL1 4053/4885
US-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv NUDT1, TYMP, DPYD POLB 14/4885NT5E 225/4885ABL1 3856/4885

“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.