SCHEMBL726000

SCHEMBL726000

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.45
GSK3B P49841 1/20 0.42
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
AHCY P23526 3/20 0.39
CYP2D6 P10635 6/20 0.38
ALDH1A1 P00352 1/20 0.38
FGFR1 P11362 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
FAP Q12884 1/20 0.38
DNPH1 O43598 1/20 0.38
PRKAB2 O43741 1/20 0.38
TRPM2 O94759 1/20 0.38
LDHA P00338 1/20 0.38
ADRB2 P07550 1/20 0.38
FBP1 P09467 1/20 0.38
SRC P12931 1/20 0.38
P2RY2 P41231 1/20 0.38
P2RY1 P47900 1/20 0.38
PRKAG1 P54619 1/20 0.38

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
SCHEMBL2695795 1.00 CYP3A4 (0.45) CYP3A4GSK3BADORA1ADORA2AAHCY
SCHEMBL727612 0.82 CYP3A4 (0.53) CYP3A4GSK3BADORA1ADORA2AAHCY
SCHEMBL727575 0.82 GSK3B (0.48) CYP3A4GSK3BADORA1ADORA2AAHCY
SCHEMBL727573 0.82 GSK3B (0.48) CYP3A4GSK3BADORA1ADORA2AAHCY
SCHEMBL726001 0.81 FAP (0.45) CYP3A4GSK3BADORA1ADORA2AAHCY
SCHEMBL727613 0.79 GSK3B (0.45) CYP3A4GSK3BADORA2AAHCYALDH1A1
SCHEMBL5671271 0.72 GSK3B (0.53) GSK3BADORA1ADORA2AAHCYALDH1A1
SCHEMBL9189753 0.71 CYP3A4 (0.57) CYP3A4ADORA1ADORA2AAHCYCYP2D6
SCHEMBL6004041 0.69 AHCY (0.44) CYP3A4ADORA1ADORA2AAHCYALDH1A1
SCHEMBL2695800 0.69 GSK3B (0.42) CYP3A4GSK3BADORA1ADORA2AAHCY

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 CYP3A4 1350/4885GSK3B 904/4885ADORA1 117/4885
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 CYP3A4 2223/4885GSK3B 573/4885ADORA1 228/4885
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 CYP3A4 3143/4885GSK3B 167/4885ADORA1 212/4885
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 CYP3A4 1350/4885GSK3B 904/4885ADORA1 117/4885
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 CYP3A4 1350/4885GSK3B 904/4885ADORA1 117/4885

“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.