SCHEMBL109312

SCHEMBL109312

Cc1cn([C@@H]2O[C@H](C(O)N(CCC(=O)O)CCC(=O)O)CC2OP(N)(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.41
TK1 P04183 3/20 0.41

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
SCHEMBL110573 0.97 TYMP (0.40) TYMPTK1
SCHEMBL112794 0.92 TYMP (0.42) TYMPTK1
SCHEMBL2695701 0.86 TYMP (0.38) TYMPTK1
SCHEMBL161584 0.85 TYMP (0.38) TYMPTK1
SCHEMBL160306 0.80 TYMP (0.40) TYMPTK1
Phosphoramidic Acid SCHEMBL110890 0.80 TYMP (0.41) TYMP
SCHEMBL162733 0.79 TYMP (0.39) TYMPTK1
Phosphoramidic Acid SCHEMBL110757 0.78 TK1 (0.48) TK1
SCHEMBL155947 0.77 RNASE1 (0.38) TYMPTK1
Phosphoramidic Acid SCHEMBL109883 0.76 TYMP (0.40) TYMP

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-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
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP TYMP 2/4885TK1 58/4885

“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.