SCHEMBL2691352

SCHEMBL2691352

NCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ENPP1 P22413 3/20 0.61
P2RY1 P47900 2/20 0.61
AHCY P23526 3/20 0.49
HIF1A Q16665 1/20 0.48
PRKACA P17612 1/20 0.48
NT5E P21589 1/20 0.48
GSK3A P49840 1/20 0.48
RPS6KA3 P51812 1/20 0.48
MAPK14 Q16539 1/20 0.48
PDE4D Q08499 2/20 0.48
PDE3A Q14432 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DNPH1 O43598 1/20 0.48
PRKAB2 O43741 1/20 0.48
TRPM2 O94759 1/20 0.48
LDHA P00338 1/20 0.48
ADRB2 P07550 1/20 0.48
FBP1 P09467 1/20 0.48
SRC P12931 1/20 0.48

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
SCHEMBL8058699 0.90 POLB (0.64) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL1889395 0.90 POLB (0.64) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL5369306 0.90 POLB (0.59) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL7133529 0.89 POLB (0.59) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL5358012 0.88 POLB (0.58) POLBENPP1P2RY1AHCYPRKACA
SCHEMBL6534229 0.88 POLB (0.58) POLBENPP1P2RY1AHCYPRKACA
SCHEMBL8623380 0.87 POLB (0.65) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL3259692 0.87 POLB (0.65) POLBENPP1P2RY1AHCYHIF1A
SCHEMBL2027173 0.86 POLB (0.58) POLBENPP1P2RY1AHCYGSK3A
SCHEMBL3470715 0.85 POLB (0.63) POLBENPP1P2RY1AHCYHIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP POLB 6/4885ENPP1 46/4885P2RY1 519/4885

“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.