SCHEMBL875115

SCHEMBL875115

CC(C)(C)OC(=O)Nc1ccn([C@H]2C[C@H](CO)[C@@H](COC(=O)CCCCC(=O)O)O2)c(=O)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
P2RY6 Q15077 3/20 0.35
P2RY2 P41231 2/20 0.35
P2RY4 P51582 2/20 0.35
ABCG2 Q9UNQ0 3/20 0.33
ABCB1 P08183 1/20 0.33
NT5E P21589 2/20 0.33
TK1 P04183 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
P2RY14 Q15391 1/20 0.32

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
SCHEMBL837510 1.00 POLB (0.44) POLBABL1RIN1P2RY6P2RY2
SCHEMBL12579728 0.95 POLB (0.46) POLBABL1RIN1P2RY6P2RY2
SCHEMBL837611 0.95 POLB (0.46) POLBABL1RIN1P2RY6P2RY2
SCHEMBL836118 0.95 POLB (0.46) POLBABL1RIN1P2RY6P2RY2
SCHEMBL10095190 0.86 POLB (0.43) POLBABL1RIN1P2RY6P2RY2
SCHEMBL837720 0.86 POLB (0.43) POLBABL1RIN1P2RY6P2RY2
SCHEMBL10095196 0.85 POLB (0.39) POLBABL1RIN1P2RY6P2RY2
SCHEMBL837389 0.80 POLB (0.40) POLBABL1RIN1P2RY6P2RY2
SCHEMBL12197787 0.80 POLB (0.40) POLBABL1RIN1P2RY6P2RY2
SCHEMBL836805 0.80 POLB (0.37) POLBABL1RIN1P2RY6P2RY2

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 9 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
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-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
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
WO-2007006707-A1 1- [2' , 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS MEDIVIR AB (SE) 2007-01-18 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 (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 16/4885ABL1 4053/4885RIN1 779/4885
US-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv NUDT1, TYMP, DPYD POLB 14/4885ABL1 3856/4885RIN1 949/4885

“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.