SCHEMBL837389

SCHEMBL837389

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TYMP P19971 2/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
NT5E P21589 2/20 0.32
P2RY6 Q15077 2/20 0.32
P2RY14 Q15391 2/20 0.32
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 1/20 0.30
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL12197787 1.00 POLB (0.40) POLBTYMPABL1RIN1NT5E
SCHEMBL10095196 0.96 POLB (0.39) POLBTYMPABL1RIN1NT5E
SCHEMBL14066270 0.92 POLB (0.41) POLBTYMPABL1RIN1NT5E
SCHEMBL12197508 0.91 POLB (0.43) POLBTYMPABL1RIN1NT5E
SCHEMBL10095143 0.90 POLB (0.39) POLBTYMPABL1RIN1NT5E
SCHEMBL874315 0.90 POLB (0.49) POLBTYMPABL1RIN1NT5E
SCHEMBL16350596 0.87 POLB (0.40) POLBTYMPABL1RIN1NT5E
SCHEMBL837609 0.86 POLB (0.38) POLBABL1RIN1NT5EP2RY6
SCHEMBL836118 0.84 POLB (0.46) POLBABL1RIN1NT5EP2RY6
SCHEMBL837611 0.84 POLB (0.46) POLBABL1RIN1NT5EP2RY6

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
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 claimed
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 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
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-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 16/4885TYMP 3/4885ABL1 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.