SCHEMBL110990

SCHEMBL110990

CCOC(=O)CNCC(=O)OCC.Nc1ccn([C@@H]2O[C@H](COP(N)(=O)O)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 3/20 0.55
TSHR P16473 1/20 0.55
GLA P06280 1/20 0.55
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MTOR P42345 1/20 0.52
MDM2 Q00987 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
ST6GAL1 P15907 8/20 0.51
P2RY4 P51582 2/20 0.51
P2RY6 Q15077 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL109140 0.92 P2RY2 (0.55) P2RY2TSHRGLALMNATHRB
SCHEMBL110081 0.92 P2RY2 (0.58) P2RY2TSHRGLALMNATHRB
SCHEMBL112072 0.86 P2RY2 (0.57) P2RY2TSHRGLALMNATHRB
SCHEMBL111695 0.85 POLB (0.61) P2RY2P2RY4P2RY6
SCHEMBL113175 0.84 P2RY6 (0.62) P2RY2P2RY4P2RY6
SCHEMBL4666825 0.82 LMNA (0.62) P2RY2TSHRGLALMNATHRB
SCHEMBL12746220 0.81 P2RY2 (0.67) P2RY2TSHRGLALMNATHRB
Cytarabine 5'-Phosphate SCHEMBL2681941 0.81 P2RY2 (0.69) P2RY2TSHRGLALMNATHRB
Cytarabine 5'-Phosphate SCHEMBL17934719 0.81 P2RY2 (0.69) P2RY2TSHRGLALMNATHRB
Cytarabine 5'-Phosphate SCHEMBL284602 0.81 P2RY2 (0.69) P2RY2TSHRGLALMNATHRB

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 P2RY2 1050/4885TSHR 4502/4885GLA 1560/4885

“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.