SCHEMBL646508

SCHEMBL646508

N[C@@]1(n2cnc3c(O)ncnc32)O[C@H](CO)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
SLC28A1 O00337 2/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GMPS P49915 1/20 0.38
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
ADORA2B P29275 2/20 0.35
AHCY P23526 2/20 0.35
SLC28A2 O43868 1/20 0.35
ADORA1 P30542 2/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HIF1A Q16665 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
SCHEMBL646291 0.88 ADORA2A (0.56) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL30612765 0.85 ADORA3 (0.39) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL30612745 0.81 GMPS (0.37) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL30382315 0.75 ADORA2A (0.52) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL8108646 0.75 ADORA2A (0.36) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL28171063 0.74 ADORA2A (0.51) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL20833563 0.74 ADORA2A (0.51) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL28171639 0.74 ADORA2A (0.54) ADORA3ADORA2ASLC28A1PRMT5WDR77
SCHEMBL646779 0.74 ADORA3 (0.47) ADORA3HIF1A
SCHEMBL9851782 0.73 PI4KA (0.31) ADORA3ADORA2ASLC28A1PI4KAPI4K2B

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
JP-2009517350-A 2009-04-30 JP claimed
US-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2009-01-15 US claimed
EP-1973571-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2008-10-01 EP claimed
WO-2007059931-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2007-05-31 WO claimed
US-8119689-B2 Adjuvants on the basis of bisacyloxypropylcystene conjugates and derivatives and their uses in pharmaceutical compositions HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2012-02-21 US disclosed
US-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2009-01-15 US disclosed
EP-1973571-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2008-10-01 EP disclosed
WO-2007059931-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2007-05-31 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-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS CYSLTR2, CYSLTR1, GSTO1 ADORA3 941/4885ADORA2A 724/4885SLC28A1 2652/4885

“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.