SCHEMBL727571

SCHEMBL727571

Nc1ccn(C(=O)[C@H](O)[C@H](CO)OCP(=O)([O-])[O-])c(=O)n1.[Na+].[Na+]

nearest known ligand 0.45

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 13)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.34
NT5E P21589 1/20 0.45
FGFR1 P11362 3/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
ST6GAL1 P15907 7/20 0.36
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HPRT1 P00492 2/20 0.34

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
SCHEMBL727570 0.88 FGFR1 (0.55) NT5EFGFR1SLC22A6ST6GAL1LMNA
SCHEMBL725872 0.84 FGFR1 (0.41) NT5EFGFR1SLC22A6ST6GAL1LMNA
SCHEMBL2694577 0.79 FGFR1 (0.52) NT5EFGFR1SLC22A6ST6GAL1TSHR
SCHEMBL725871 0.78 FGFR1 (0.41) NT5EFGFR1SLC22A6ST6GAL1LMNA
SCHEMBL726338 0.78 P2RY2 (0.36) ST6GAL1LMNA
SCHEMBL727613 0.72 GSK3B (0.45) NT5EFGFR1SLC22A6
SCHEMBL8895353 0.70 NT5E (0.43) NT5EFGFR1SLC22A6ST6GAL1TSHR
SCHEMBL2694580 0.67 FGFR1 (0.65) NT5EFGFR1SLC22A6LMNATHRB
SCHEMBL2694574 0.67 FGFR1 (0.65) NT5EFGFR1SLC22A6LMNATHRB
SCHEMBL3240144 0.66 ELANE (0.37) NT5EFGFR1SLC22A6LMNATHRB

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 THRB 4176/4885NT5E 45/4885FGFR1 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 THRB 3588/4885NT5E 67/4885FGFR1 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 THRB 4558/4885NT5E 91/4885FGFR1 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 THRB 4176/4885NT5E 45/4885FGFR1 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 THRB 4176/4885NT5E 45/4885FGFR1 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.