SCHEMBL874315

SCHEMBL874315

COc1ccc(C(OC[C@H]2C[C@H](n3ccc(NC(=O)OC(C)(C)C)nc3=O)O[C@@H]2CO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TYMP P19971 2/20 0.38
P2RY6 Q15077 3/20 0.34
NT5E P21589 2/20 0.34
P2RY14 Q15391 2/20 0.34
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
P2RY2 P41231 2/20 0.33
P2RY4 P51582 2/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
TP53 P04637 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
SCHEMBL12197508 0.94 POLB (0.43) POLBABL1RIN1TYMPP2RY6
SCHEMBL14066269 0.91 POLB (0.50) POLBABL1RIN1TYMPP2RY6
SCHEMBL12197787 0.90 POLB (0.40) POLBABL1RIN1TYMPP2RY6
SCHEMBL16350596 0.90 POLB (0.40) POLBABL1RIN1TYMPP2RY6
SCHEMBL837389 0.90 POLB (0.40) POLBABL1RIN1TYMPP2RY6
SCHEMBL10095196 0.89 POLB (0.39) POLBABL1RIN1TYMPP2RY6
SCHEMBL10095143 0.88 POLB (0.39) POLBABL1RIN1TYMPP2RY6
SCHEMBL13036643 0.84 TYMP (0.42) POLBTYMPP2RY6SLC6A1SLC6A11
SCHEMBL835720 0.83 POLB (0.46) POLBABL1RIN1P2RY6NT5E
SCHEMBL23157266 0.81 POLB (0.56) POLBABL1RIN1TYMPP2RY6

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 5 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

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.