SCHEMBL6575684

SCHEMBL6575684

CCc1cnc([C@H]2O[C@@H](n3cnc4c(NCCS(=O)(=O)N(C)C)ncnc43)C[C@@H]2O)o1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.42
SLC29A1 Q99808 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ABL1 P00519 2/20 0.38
RIN1 Q13671 2/20 0.38

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
SCHEMBL6572841 0.86 SLC29A1 (0.47) ADORA3SLC29A1PDE4APDE4BPDE4C
SCHEMBL6572836 0.86 SLC29A1 (0.47) ADORA3SLC29A1PDE4APDE4BPDE4C
SCHEMBL6576713 0.76 SLC29A1 (0.48) ADORA3SLC29A1
SCHEMBL6576715 0.76 SLC29A1 (0.48) ADORA3SLC29A1
SCHEMBL2290883 0.68 HIF1A (0.66) SLC29A1
SCHEMBL2290876 0.68 HIF1A (0.66) SLC29A1
SCHEMBL17865919 0.67 SLC29A1 (0.55) ADORA3SLC29A1PDE4APDE4BPDE4C
SCHEMBL6573836 0.66 ADORA3 (0.51) ADORA3SLC29A1
SCHEMBL5849139 0.66 SLC29A1 (0.69) ADORA3SLC29A1
SCHEMBL5849132 0.66 SLC29A1 (0.69) ADORA3SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
US-6677316-B2 TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL SMITHKLINE BEECHAM CORPORATION 2004-01-13 US disclosed
US-20030096788-A1 Adenosine derivatives GLAXO WELLCOME INC. 2003-05-22 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-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 ADORA3 1/4885SLC29A1 201/4885PDE4A 43/4885

“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.