SCHEMBL837249

SCHEMBL837249

COc1ccc(C(OCC2CC(n3ccc(N)nc3=O)OC2C(O[SiH3])C(C)(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.37
POLB P06746 1/20 0.34
CACNA1F O60840 2/20 0.33
LMNA P02545 2/20 0.33
ALB P02768 2/20 0.33
MAPT P10636 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
PDE3A Q14432 2/20 0.33
SLC6A1 P30531 2/20 0.33
POLG P54098 2/20 0.33
SLC6A11 P48066 1/20 0.33
ST6GAL1 P15907 2/20 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
SCHEMBL13036650 0.85 TYMP (0.41) TYMPPOLBCACNA1FLMNAALB
SCHEMBL13036643 0.84 TYMP (0.42) TYMPPOLBCACNA1FLMNAALB
SCHEMBL837250 0.83 LMNA (0.33) POLBCACNA1FLMNAALBMAPT
SCHEMBL13036642 0.83 TYMP (0.38) TYMPPOLBCACNA1FLMNAALB
SCHEMBL12885730 0.80 TYMP (0.38) TYMPPOLBCACNA1FLMNAALB
SCHEMBL6885492 0.79 POLB (0.53) TYMPPOLBCACNA1FLMNAALB
SCHEMBL6885494 0.79 POLB (0.53) TYMPPOLBCACNA1FLMNAALB
SCHEMBL13036664 0.78 TYMP (0.38) TYMPPOLBCACNA1FLMNAALB
SCHEMBL20527120 0.78 TYMP (0.41) TYMPPOLBCACNA1FLMNAALB
SCHEMBL21065502 0.77 TYMP (0.41) TYMPPOLBCACNA1FLMNAALB

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 2 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

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 TYMP 3/4885POLB 16/4885CACNA1F 3556/4885

“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.