SCHEMBL5352883

SCHEMBL5352883

CCCCCCCCCCCCCCCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.67
GDA Q9Y2T3 1/20 0.63
POLA1 P09884 1/20 0.55
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8843889 0.90 GDA (0.69) XDHGDAPOLA1
SCHEMBL27569987 0.87 GDA (0.59) XDHGDAPOLA1
SCHEMBL27550540 0.87 GDA (0.59) XDHGDAPOLA1
SCHEMBL1965519 0.84 GDA (0.71) XDHGDAPOLA1
SCHEMBL5352879 0.82 SPHK2 (0.52) XDHGDASPHK2SPHK1NPC1
SCHEMBL8535457 0.80 XDH (1.00) XDHGDAPOLA1
SCHEMBL4384744 0.80 XDH (1.00) XDHGDAPOLA1
Acetic Acid SCHEMBL27671662 0.80 XDH (0.88) XDHGDAPOLA1
Hydrochloric Acid SCHEMBL258899 0.79 XDH (0.97) XDHGDAPOLA1
SCHEMBL3072990 0.79 GDA (0.67) XDHGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307166-B1 Oxpurine nucleosides and their congeners, and acyl, derivatives thereof, for improvement of hematopoiesis WELLSTAT THERAPEUTICS CORPORATION (US) 2007-12-11 US disclosed
US-20040235782-A1 Oxypurine nucleosides and their congeners, and acyl derivatives thereof, for improvement of hematopoiesis PRO-NEURON, INC. 2004-11-25 US disclosed
EP-1157698-A2 Treatment of inflammatory diseases with oxypurine nucleosides PRO-NEURON, INC. (US) 2001-11-28 EP disclosed
US-6060459-A Enhancing blood cell count with oxypurine nucleosides PRO-NEURON, INC. (US) 2000-05-09 US disclosed
US-6054441-A Antiinflammatory agents; treatment of bacterial, viral or fungal infections; autoimmune diseases PRO-NEURON, INC. (US) 2000-04-25 US disclosed
EP-0771204-A4 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO NEURON INC (US) 1999-10-20 EP disclosed
EP-0771204-A1 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO-NEURON, INC. (US) 1997-05-07 EP disclosed
WO-1996004923-A1 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO-NEURON, INC. (US) 1996-02-22 WO disclosed
US-4880782-A 3'-AZIDO-2',3'-DIDEOXYINOSINE AND RELATED COMPOUNDS FOR AIDS MAX-PLANCK-GESELLSCHAFT ZUR FOEDERUNG DER WISSENSCHAFTEN E.V. (DE) 1989-11-14 US disclosed
EP-0332626-A1 COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HUMANS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1989-09-20 EP disclosed
EP-0286825-A2 Use of 3'-fluro-3' deoxythymidine for the manufacture of a medicament for the treatment of virus infections Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1988-10-19 EP disclosed
US-4145531-A Process for producing 2'-substituted-D-ribofuranosyl purine compounds MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1979-03-20 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 (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-20040235782-A1 Oxypurine nucleosides and their congeners, and acyl derivatives thereof, for improvement of hematopoiesis TPMT, NUDT1, ENTPD5 XDH 98/4885GDA 74/4885POLA1 1430/4885

“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.