SCHEMBL646292

SCHEMBL646292

NOC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
AHCY P23526 6/20 0.55
ADORA3 P0DMS8 3/20 0.55
ADORA1 P30542 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
DPP4 P27487 1/20 0.55
MEN1 O00255 1/20 0.55
SLC28A1 O00337 1/20 0.55
MAP3K7 O43318 1/20 0.55
SLC28A2 O43868 1/20 0.55
GAPDH P04406 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
STAT6 P42226 1/20 0.55
PI4KA P42356 1/20 0.55
KMT2A Q03164 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
DOT1L Q8TEK3 1/20 0.55
SLC29A1 Q99808 1/20 0.55

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
SCHEMBL23619450 0.90 BCHE (0.56) BCHEAHCYADORA3ADORA1SMN1; SMN2
SCHEMBL11416201 0.90 BCHE (0.58) BCHEAHCYADORA3ADORA1SMN1; SMN2
SCHEMBL29056308 0.90 BCHE (0.56) BCHEAHCYADORA3ADORA1SMN1; SMN2
SCHEMBL23619452 0.90 BCHE (0.58) BCHEAHCYADORA3ADORA1SMN1; SMN2
SCHEMBL646509 0.88 BCHE (0.46) BCHEAHCYADORA3ADORA1SMN1; SMN2
Cordycepin SCHEMBL24220702 0.88 ADORA3 (0.63) AHCYADORA3ADORA1SMN1; SMN2DPP4
Cordycepin SCHEMBL21591024 0.88 ADORA3 (0.63) AHCYADORA3ADORA1SMN1; SMN2DPP4
Cordycepin SCHEMBL23735980 0.88 ADORA3 (0.63) AHCYADORA3ADORA1SMN1; SMN2DPP4
Cordycepin SCHEMBL21562220 0.88 ADORA3 (0.63) AHCYADORA3ADORA1SMN1; SMN2DPP4
Cordycepin SCHEMBL22081032 0.88 ADORA3 (0.63) AHCYADORA3ADORA1SMN1; SMN2DPP4

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 BCHE 215/4885AHCY 43/4885ADORA3 941/4885

“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.