SCHEMBL726338

SCHEMBL726338

O=C([C@H](O)[C@H](CO)OCP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O.[Na+].[Na+]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY2 known ✓ P41231 4/20 0.36
P2RY6 known ✓ Q15077 4/20 0.36
P2RY4 known ✓ P51582 2/20 0.36
ST6GAL1 P15907 3/20 0.35
P2RY14 Q15391 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.32
SLC28A1 O00337 1/20 0.32
SLC28A2 O43868 1/20 0.32
SLC29A1 Q99808 1/20 0.32
SLC28A3 Q9HAS3 1/20 0.32

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
SCHEMBL726337 0.87 TYMP (0.37) P2RY2P2RY6P2RY4P2RY14ALDH1A1
SCHEMBL725991 0.84 PKM (0.33) P2RY2P2RY6P2RY4P2RY14ALDH1A1
SCHEMBL725875 0.80 TYMP (0.45)
SCHEMBL725994 0.78 POLB (0.38) P2RY2P2RY6P2RY4ST6GAL1P2RY14
SCHEMBL727571 0.78 NT5E (0.45) ST6GAL1LMNA
SCHEMBL725990 0.77 P2RY6 (0.34) P2RY2P2RY6P2RY4P2RY14PKM
SCHEMBL725874 0.67 TYMP (0.57)
SCHEMBL727566 0.67 POLB (0.39) POLBHSD17B10ALDH1A1LMNA
SCHEMBL727613 0.67 GSK3B (0.45) ALDH1A1
SCHEMBL10592746 0.65 ALDH1A1 (0.35) POLBHSD17B10ALDH1A1LMNAPKM

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 P2RY2 67/4885P2RY6 79/4885P2RY4 76/4885
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 P2RY2 208/4885P2RY6 122/4885P2RY4 94/4885
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 P2RY2 171/4885P2RY6 90/4885P2RY4 102/4885
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 P2RY2 67/4885P2RY6 79/4885P2RY4 76/4885
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 P2RY2 67/4885P2RY6 79/4885P2RY4 76/4885

“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.