SCHEMBL838369

SCHEMBL838369

COc1ccc(C(OC(c2ccccc2)c2ccccc2)C2CC(n3ccc(NC(=O)OC(C)(C)C)nc3=O)OC2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4704897 0.92 POLB (0.38) POLBCYP3A4ABL1RIN1
SCHEMBL835719 0.90 POLB (0.46) POLBABL1RIN1MEN1KMT2A
SCHEMBL1965642 0.88 POLB (0.37) POLBABL1RIN1MEN1KMT2A
SCHEMBL16350596 0.81 POLB (0.40) POLBABL1RIN1
SCHEMBL14066268 0.73 POLB (0.41) POLBABL1RIN1
SCHEMBL22327455 0.72 POLB (0.58) POLBCYP3A4ABL1RIN1
SCHEMBL20535901 0.72 POLB (0.58) POLBCYP3A4ABL1RIN1
SCHEMBL25754094 0.72 POLB (0.58) POLBCYP3A4ABL1RIN1
SCHEMBL874315 0.72 POLB (0.49) POLBABL1RIN1
SCHEMBL12197508 0.72 POLB (0.43) POLBABL1RIN1

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
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

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 16/4885CYP3A4 461/4885ABL1 4053/4885

“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.