SCHEMBL727575

SCHEMBL727575

CC(C)C(O[C@@H](CO)CC(=O)n1cnc2c(N)ncnc21)(C(C)C)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
CYP3A4 P08684 4/20 0.43
FGFR1 P11362 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.41
AHCY P23526 4/20 0.40
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ABCB11 O95342 1/20 0.37
POLA1 P09884 1/20 0.37
POLG P54098 1/20 0.37
FAP Q12884 1/20 0.37
CYP2D6 P10635 3/20 0.37
ADORA2B P29275 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL727573 1.00 GSK3B (0.48) GSK3BCYP3A4FGFR1SLC22A6AHCY
SCHEMBL726000 0.82 CYP3A4 (0.45) GSK3BCYP3A4FGFR1SLC22A6AHCY
SCHEMBL2695795 0.82 CYP3A4 (0.45) GSK3BCYP3A4FGFR1SLC22A6AHCY
SCHEMBL727574 0.78 GSK3B (0.48) GSK3BCYP3A4FGFR1SLC22A6AHCY
SCHEMBL9189753 0.76 CYP3A4 (0.57) CYP3A4FGFR1SLC22A6AHCYADORA2A
SCHEMBL2695067 0.74 GSK3B (0.64) GSK3BAHCYADORA2AADORA1ADORA2B
SCHEMBL2695070 0.74 GSK3B (0.64) GSK3BAHCYADORA2AADORA1ADORA2B
SCHEMBL6004041 0.70 AHCY (0.44) CYP3A4AHCYADORA2AADORA1ADORA2B
SCHEMBL29274097 0.69 GSK3B (0.73) GSK3BAHCYADORA2AADORA1ADORA2B
SCHEMBL2698051 0.68 P2RY14 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4745329-B2 2011-08-10 JP claimed
JP-2007526048-A 2007-09-13 JP claimed
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-09 US claimed
EP-1750572-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF Stressmeter A/S (DK) 2007-02-14 EP claimed
WO-2005084529-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF STRESSMETER A/S (DK) 2005-09-15 WO claimed
US-9522932-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-12-20 US disclosed
EP-2980095-A1 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.Leuven Research & Development (BE) 2016-02-03 EP disclosed
US-9249177-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-02-02 US disclosed
US-20160009750-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-14 US disclosed
EP-1720890-B1 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION LEUVEN K U RES & DEV (BE) 2015-05-20 EP disclosed
US-20140316127-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-10-23 US disclosed
US-8809520-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-08-19 US disclosed
US-20140039179-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-02-06 US disclosed
US-8501709-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2013-08-06 US disclosed
US-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-05-03 US disclosed
US-8076310-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-12-13 US disclosed
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-09 US disclosed
EP-1750572-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF Stressmeter A/S (DK) 2007-02-14 EP disclosed
WO-2005084529-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF STRESSMETER A/S (DK) 2005-09-15 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 (5 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-20140039179-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP GSK3B 904/4885CYP3A4 1350/4885FGFR1 1742/4885
US-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION TYMP, PNP, NUDT1 GSK3B 573/4885CYP3A4 2223/4885FGFR1 946/4885
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production ENTPD5, PPA1, TYMP GSK3B 167/4885CYP3A4 3143/4885FGFR1 1128/4885
US-20160009750-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP GSK3B 904/4885CYP3A4 1350/4885FGFR1 1742/4885
US-20140316127-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP GSK3B 904/4885CYP3A4 1350/4885FGFR1 1742/4885

“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.