SCHEMBL1376829

SCHEMBL1376829

C#C[C@@]1(F)[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.48

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
P2RY1 known ✓ P47900 1/20 0.45
P2RY12 known ✓ Q9H244 1/20 0.45
NT5E P21589 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 2/20 0.47
TGM2 P21980 1/20 0.47
PMP22 Q01453 1/20 0.47
CYP2C19 P33261 1/20 0.47
DCPS Q96C86 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KRAS P01116 1/20 0.43
FUT5 Q11128 1/20 0.43

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
SCHEMBL21136264 0.89 NT5E (0.54) NT5EPOLBTGM2KRASFUT5
SCHEMBL19822457 0.89 NT5E (0.54) NT5EPOLBTGM2KRASFUT5
SCHEMBL22224707 0.88 TGM2 (0.56) NT5EPOLBTGM2DCPSP2RY1
SCHEMBL12150020 0.87 TGM2 (0.55) NT5EPOLBTGM2DCPSP2RY1
SCHEMBL22224710 0.87 TGM2 (0.55) NT5EPOLBTGM2DCPSP2RY1
SCHEMBL12151899 0.87 TGM2 (0.55) NT5EPOLBTGM2DCPSP2RY1
SCHEMBL16023834 0.87 TGM2 (0.55) NT5EPOLBTGM2DCPSP2RY1
SCHEMBL15045985 0.84 HINT1 (0.48) NT5EPOLBTGM2KRASFUT5
SCHEMBL1376700 0.84 P2RY1 (0.53) BLMPMP22CYP2C19LMNAP2RY1
SCHEMBL1378179 0.84 POLB (0.42) NT5EPOLBBLMTGM2PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120566-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2019-05-08 EP disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections IDENIX PHARMACEUTICALS, INC 2009-07-02 US disclosed
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. 2008-11-20 US 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-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections HAVCR2, PYGL, GYS2 P2RY1 2017/4885P2RY12 2501/4885NT5E 947/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 P2RY1 2017/4885P2RY12 2501/4885NT5E 947/4885
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GYS2 P2RY1 2017/4885P2RY12 2501/4885NT5E 947/4885
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 P2RY1 2017/4885P2RY12 2501/4885NT5E 947/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 P2RY1 2017/4885P2RY12 2501/4885NT5E 947/4885

“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.