SCHEMBL111346

SCHEMBL111346

NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc(COC(=O)CNCC(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.55
TYMS P04818 3/20 0.46
P2RY2 P41231 4/20 0.43
P2RY6 Q15077 3/20 0.43
P2RY4 P51582 2/20 0.43
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
P2RY14 Q15391 1/20 0.40

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
SCHEMBL111384 0.89 TYMS (0.51) TYMS
SCHEMBL111875 0.88 POLB (0.51) DUTTYMSP2RY2P2RY6P2RY4
SCHEMBL112172 0.87 P2RY6 (0.55) P2RY2P2RY6P2RY4P2RY14
SCHEMBL109307 0.82 POLB (0.54) TYMSP2RY2P2RY6P2RY4
SCHEMBL112112 0.81 POLB (0.52) P2RY2
SCHEMBL112475 0.78 DUT (0.61) DUTTYMSP2RY2P2RY6P2RY4
SCHEMBL110496 0.77 DUT (0.64) DUTTYMSP2RY2P2RY6P2RY4
SCHEMBL25714223 0.76 DUT (0.49) DUTTYMSP2RY2P2RY6P2RY4
SCHEMBL110494 0.76 ST6GAL1 (0.53) P2RY2P2RY6P2RY4
SCHEMBL14017279 0.74 DUT (0.84) DUTP2RY2P2RY6P2RY4

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 DUT 30/4885TYMS 37/4885P2RY2 1050/4885

“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.