SCHEMBL5496887

SCHEMBL5496887

CCC(OC(C)=O)C(=O)OC[C@@H]1C=C[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
HSP90B1 P14625 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
MARS1 P56192 1/20 0.34
AHCY P23526 5/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL5494937 0.90 BCHE (0.47) BCHEHSP90B1ADORA2AADORA2BMARS1
SCHEMBL2955999 0.87 BCHE (0.42) BCHEHSP90B1ADORA2BMARS1AHCY
SCHEMBL5496885 0.81 ADORA2A (0.35) HSP90B1ADORA2AADORA2BAHCY
SCHEMBL6239243 0.76 BCHE (0.53) BCHEHSP90B1ADORA2AADORA2BAHCY
SCHEMBL9009749 0.76 ABCB1 (0.42) BCHE
SCHEMBL5493631 0.75 EHMT1 (0.39) BCHEADORA2AADORA2BAHCY
SCHEMBL5858366 0.74 BCHE (0.51) BCHEHSP90B1ADORA2BMARS1AHCY
SCHEMBL1140703 0.74 EGFR (0.41) BCHEADORA2AADORA2B
SCHEMBL2045673 0.74 EGFR (0.41) BCHEADORA2AADORA2B
SCHEMBL13238881 0.74 EGFR (0.41) BCHEADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654270-B1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES ARCHIMICA SRL (IT) 2007-12-26 EP disclosed
US-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides ARCHIMICA S.R.L. (IT) 2006-09-07 US disclosed
EP-1654270-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES Clariant Life Science Molecules (Italia) S.p.A. (IT) 2006-05-10 EP disclosed
WO-2005012325-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2005-02-10 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-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides DOHH, UMPS, DCPS BCHE 1098/4885HSP90B1 3820/4885ADORA2A 955/4885

“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.