SCHEMBL4704898

SCHEMBL4704898

COc1ccc(COC(c2ccccc2)(c2ccccc2)C2CC(n3ccc(NC(=O)C(C)(C)C)nc3=O)OC2C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ABL1 P00519 2/20 0.35
RIN1 Q13671 2/20 0.35
NT5E P21589 2/20 0.34
ROCK2 O75116 1/20 0.32
P2RY6 Q15077 6/20 0.32
P2RY2 P41231 4/20 0.32
P2RY4 P51582 4/20 0.32
CACNA1G O43497 2/20 0.30
CACNA1H O95180 2/20 0.30
CACNA1I Q9P0X4 2/20 0.30
P2RY14 Q15391 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
SCHEMBL838370 0.92 POLB (0.36) POLBABL1RIN1NT5EROCK2
SCHEMBL835720 0.78 POLB (0.46) POLBABL1RIN1NT5EP2RY6
SCHEMBL837609 0.74 POLB (0.38) POLBABL1RIN1NT5EP2RY6
SCHEMBL836805 0.73 POLB (0.37) POLBABL1RIN1NT5EP2RY6
SCHEMBL14066269 0.73 POLB (0.50) POLBABL1RIN1NT5EP2RY6
SCHEMBL14066268 0.69 POLB (0.41) POLBABL1RIN1NT5EP2RY6
SCHEMBL14066270 0.69 POLB (0.41) POLBABL1RIN1NT5EP2RY6
SCHEMBL837250 0.69 LMNA (0.33) POLB
SCHEMBL24115327 0.67 TYMP (0.48) POLBABL1RIN1NT5EP2RY6
SCHEMBL31556049 0.67 TYMP (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1899352-A1 1- [2' , 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP 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 (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-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.