SCHEMBL5172376

SCHEMBL5172376

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]

nearest known ligand 0.74

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 0.61
P2RY12 known ✓ Q9H244 1/20 0.61
IMPDH2 known ✓ P12268 4/20 0.61
IMPDH1 known ✓ P20839 1/20 0.61
NT5E P21589 1/20 0.74
TGM2 P21980 1/20 0.73
KRAS P01116 4/20 0.65
FUT5 Q11128 1/20 0.64
DCPS Q96C86 1/20 0.63
HINT1 P49773 1/20 0.61
LMNA P02545 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
Water SCHEMBL30173181 0.99 NT5E (0.73) NT5ETGM2KRASFUT5DCPS
Gtp SCHEMBL9113739 0.98 NT5E (0.72) NT5ETGM2KRASFUT5DCPS
SCHEMBL28850748 0.98 NT5E (0.72) NT5ETGM2KRASFUT5DCPS
SCHEMBL1096046 0.95 NT5E (0.73) NT5ETGM2KRASFUT5DCPS
Gtp SCHEMBL31749625 0.93 NT5E (0.72) NT5ETGM2KRASFUT5DCPS
Gtp SCHEMBL20578211 0.93 NT5E (0.72) NT5ETGM2KRASFUT5DCPS
Gtp SCHEMBL2194831 0.93 NT5E (0.71) NT5ETGM2KRASFUT5DCPS
SCHEMBL28001540 0.93 NT5E (0.71) NT5ETGM2KRASFUT5DCPS
Gtp SCHEMBL1332521 0.93 NT5E (0.71) NT5ETGM2KRASFUT5DCPS
E626 SCHEMBL29723939 0.93 NT5E (0.79) NT5ETGM2KRASFUT5DCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4526461-A1 BIOMANUFACTURING OF OLIGOSACCHARIDES AND DERIVATIVES FROM SIMPLE SUGARS ZYMtronix Catalytic Systems, Inc. (US) 2025-03-26 EP disclosed
CN-119351436-B Co-expression recombinant vector, recombinant strain and method for enzymatically synthesizing 6-selenoglutamic acid 四川大学 2025-03-25 CN disclosed
CN-119546773-A Biological production of oligosaccharides and derivatives from monosaccharides 齐姆特罗尼克斯催化系统股份有限公司 2025-02-28 CN disclosed
CN-119351436-A Co-expression recombinant vector, recombinant strain and method for enzymatically synthesizing 6-selenoglutamic acid 四川大学 2025-01-24 CN disclosed
US-20240400604-A1 NUCLEOSIDE TRIPHOSPHATE PHOTOAFFINITY PROBE, METHOD FOR PREPARING SAME, AND APPLICATIONS THEREOF SHANDONG UNIVERSITY (CN) 2024-12-05 US disclosed
CN-118001419-A Self-assembled nano-particle and preparation method and application thereof 中国科学院长春应用化学研究所 2024-05-10 CN disclosed
US-20230407357-A1 BIOMANUFACTURING OF OLIGOSACCHARIDES AND DERIVATIVES FROM SIMPLE SUGAR ZYMTRONIX CATALYTIC SYSTEMS, INC. (US) 2023-12-21 US disclosed
WO-2023225364-A1 BIOMANUFACTURING OF OLIGOSACCHARIDES AND DERIVATIVES FROM SIMPLE SUGARS ZYMTRONIX CATALYTIC SYSTEMS, INC. (US) 2023-11-23 WO disclosed
EP-1778854-A1 METHODS AND COMPOSITIONS FOR PREPARING CAPPED RNA AMBION, INC. (US) 2007-05-02 EP disclosed
WO-2006004648-A1 METHODS AND COMPOSITIONS FOR PREPARING CAPPED RNA AMBION, INC. (US) 2006-01-12 WO disclosed
US-20050287539-A1 Methods and compositions for preparing capped RNA ASURAGEN, INC. 2005-12-29 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 (1 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-20240400604-A1 NUCLEOSIDE TRIPHOSPHATE PHOTOAFFINITY PROBE, METHOD FOR PREPARING SAME, AND APPLICATIONS THEREOF ATIC, PPA1, PNP P2RY1 78/4885P2RY12 282/4885IMPDH2 640/4885

“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.