SCHEMBL113698

SCHEMBL113698

COC(=O)CNCC(=O)OC.NP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.65
P2RY2 P41231 12/20 0.64
P2RY14 Q15391 7/20 0.64
P2RY4 P51582 6/20 0.64

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
SCHEMBL113175 0.92 P2RY6 (0.62) P2RY6P2RY2P2RY14P2RY4
SCHEMBL111453 0.92 P2RY6 (0.64) P2RY6P2RY2P2RY14P2RY4
SCHEMBL7127211 0.89 P2RY6 (0.80) P2RY6P2RY2P2RY14P2RY4
SCHEMBL111809 0.86 P2RY6 (0.61) P2RY6P2RY2P2RY14P2RY4
SCHEMBL110496 0.84 DUT (0.64) P2RY6P2RY2P2RY4
SCHEMBL110081 0.83 P2RY2 (0.58) P2RY6P2RY2P2RY4
SCHEMBL18972320 0.81 P2RY2 (0.88) P2RY6P2RY2P2RY14P2RY4
SCHEMBL24989466 0.81 P2RY2 (0.81) P2RY6P2RY2P2RY14P2RY4
SCHEMBL26202447 0.81 P2RY2 (0.81) P2RY6P2RY2P2RY14P2RY4
SCHEMBL157644 0.81 P2RY6 (0.83) P2RY6P2RY2P2RY14P2RY4

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 P2RY6 924/4885P2RY2 1050/4885P2RY14 1263/4885

“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.