SCHEMBL6573985

SCHEMBL6573985

CC(C)(C)c1cc([C@H]2O[C@@H](n3cnc4c(NC5CCS(=O)(=O)CC5)ncnc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA3 P0DMS8 5/20 0.51
ADORA2B P29275 4/20 0.51
ADORA1 P30542 3/20 0.51
TSHR P16473 2/20 0.49
PMP22 Q01453 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SLC29A1 Q99808 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL6573981 0.93 ADORA3 (0.51) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6572724 0.91 ADORA3 (0.59) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6572852 0.90 ADORA3 (0.59) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6575235 0.87 ADORA1 (0.55) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6572691 0.87 ADORA1 (0.49) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6574136 0.87 ADORA1 (0.55) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6575020 0.86 ADORA1 (0.52) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6575114 0.86 ADORA1 (0.51) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6572798 0.85 ADORA3 (0.47) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL6572642 0.85 ADORA1 (0.55) ADORA2AADORA3ADORA2BADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
JP-3378240-B2 2003-02-17 JP claimed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US claimed
JP-2002518509-A 2002-06-25 JP claimed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 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
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 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-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA3 1/4885ADORA2B 4/4885

“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.