SCHEMBL846006

SCHEMBL846006

COC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PDE3A Q14432 3/20 0.53
CACNA1F O60840 2/20 0.53
ALB P02768 2/20 0.53
MAPT P10636 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53
POLB P06746 2/20 0.52
THRB P10828 1/20 0.49
MTOR P42345 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PDE4D Q08499 1/20 0.47
SLC29A1 Q99808 1/20 0.47
POLG P54098 2/20 0.45
P2RY2 P41231 3/20 0.43
P2RY4 P51582 3/20 0.43
P2RY6 Q15077 2/20 0.43

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
SCHEMBL13036646 0.91 LMNA (0.53) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL598444 0.88 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL598443 0.88 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL13036658 0.88 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL27820622 0.88 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL3687553 0.87 POLB (0.62) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL3681643 0.87 POLB (0.62) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL25456568 0.86 POLB (0.67) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL16359976 0.86 POLB (0.67) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL992473 0.86 POLB (0.67) LMNAPDE3ACACNA1FALBMAPT

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-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
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 LMNA 2852/4885PDE3A 1707/4885CACNA1F 3556/4885
US-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv NUDT1, TYMP, DPYD LMNA 2713/4885PDE3A 1970/4885CACNA1F 3697/4885

“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.