SCHEMBL646509

SCHEMBL646509

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
SLC29A1 Q99808 2/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 3/20 0.41
AHCY P23526 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
SLC28A1 O00337 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT6 P42226 1/20 0.41
PI4KA P42356 1/20 0.41
KMT2A Q03164 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
DOT1L Q8TEK3 1/20 0.41

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
SCHEMBL646292 0.88 BCHE (0.56) BCHESLC29A1ADORA3ADORA1AHCY
SCHEMBL9851713 0.88 SLC29A1 (0.44) BCHESLC29A1ADORA3ADORA1AHCY
SCHEMBL9851706 0.88 SLC29A1 (0.44) BCHESLC29A1ADORA3ADORA1AHCY
SCHEMBL9851785 0.87 BCHE (0.45) BCHESLC29A1ADORA3AHCYADORA2B
SCHEMBL9851797 0.87 BCHE (0.45) BCHESLC29A1ADORA3AHCYADORA2B
SCHEMBL98800 0.87 SLC29A1 (0.56) SLC29A1ADORA3ADORA1SMN1; SMN2ADORA2A
SCHEMBL98801 0.87 SLC29A1 (0.56) SLC29A1ADORA3ADORA1SMN1; SMN2ADORA2A
SCHEMBL9851784 0.86 BCHE (0.43) BCHESLC29A1ADORA3ADORA1NT5E
SCHEMBL9851774 0.86 BCHE (0.43) BCHESLC29A1ADORA3ADORA1NT5E
SCHEMBL10600230 0.84 DNPH1 (0.54) ADORA1SMN1; SMN2DNPH1PRKAB2TRPM2

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 215/4885SLC29A1 2407/4885ADORA3 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.