SCHEMBL5352879

SCHEMBL5352879

CCCCCCCCCCCCCCCC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
XDH P47989 4/20 0.48
NTRK1 P04629 4/20 0.46
FGFR4 P22455 4/20 0.46
TEK Q02763 4/20 0.46
DEGS1 O15121 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GDA Q9Y2T3 1/20 0.40
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12227604 0.84 GDA (0.45) SPHK2SPHK1ALDH1A1RAB9ANPC1
SCHEMBL12227599 0.84 GDA (0.45) SPHK2SPHK1ALDH1A1RAB9ANPC1
SCHEMBL5352883 0.82 XDH (0.67) SPHK2SPHK1ALDH1A1RAB9ANPC1
SCHEMBL8535455 0.80 XDH (0.67) ALDH1A1XDHKDM4E
SCHEMBL249648 0.78 XDH (0.66) ALDH1A1XDHKDM4ELMNAPOLB
SCHEMBL7160631 0.78 SPHK2 (0.55) SPHK2SPHK1ALDH1A1RAB9ANPC1
SCHEMBL12227605 0.78 TSHR (0.44) ALDH1A1SMN1; SMN2XDHHPGDGDA
SCHEMBL219477 0.77 GDA (0.62) ALDH1A1SMN1; SMN2KDM4EHPGDGDA
Stearic Acid SCHEMBL6163127 0.77 AKR1B1 (0.49) ALDH1A1KDM4EHSD17B10GLALMNA
SCHEMBL2623143 0.77 XDH (0.65) ALDH1A1XDHKDM4EGLALMNA

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 8 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

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 SPHK2 1852/4885SPHK1 1860/4885ALDH1A1 220/4885

“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.