SCHEMBL309063

SCHEMBL309063

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)C(O)C2O)cc1Br

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.97
TK2 O00142 2/20 0.68
SLC28A1 O00337 1/20 0.60
SLC28A2 O43868 1/20 0.60
SLC29A1 Q99808 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60
P2RY2 P41231 4/20 0.56
P2RY6 Q15077 3/20 0.56
P2RY4 P51582 1/20 0.56
DNPH1 O43598 1/20 0.52
TYMP P19971 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6758925 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL19657168 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL2579064 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL41201 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL654693 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL12143148 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL158910 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL15810788 1.00 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
Phosphoric Acid SCHEMBL9804833 0.95 PYGM (0.88) PYGMTK2SLC28A1SLC28A2SLC29A1
Phosphoric Acid SCHEMBL3515238 0.95 PYGM (0.88) PYGMTK2SLC28A1SLC28A2SLC29A1

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-2931319-B1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX INC (US) 2019-08-21 EP disclosed
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 US disclosed
US-8067391-B2 ODCase inhibitors for the treatment of malaria UNIVERSITY HEALTH NETWORK (CA) 2011-11-29 US disclosed
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 US disclosed
US-20090221524-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UNIVERSITY HEALTH NETWORK (CA) 2009-09-03 US disclosed
EP-1545545-A4 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS PHARMASSET INC (US) 2008-09-03 EP disclosed
EP-1545545-A2 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS Pharmasset, Inc. (US) 2005-06-29 EP disclosed
US-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections PHARMASSET, INC. 2004-04-29 US disclosed
WO-2004013300-A2 COMPOUNDS WITH THE BICYCLO[4.2.1]NONANE SYSTEM FOR THE TREATMENT OF FLAVIVIRIDAE INFECTIONS PHARMASSET INC. (US) 2004-02-12 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 (3 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-20090221524-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UMPS, UGDH, UPP1 PYGM 1863/4885TK2 601/4885SLC28A1 415/4885
US-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections CYP4B1, HAVCR2, CYP2S1 PYGM 3617/4885TK2 718/4885SLC28A1 122/4885
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents DPYD, TYMP, TYMS PYGM 2807/4885TK2 6/4885SLC28A1 165/4885

“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.