SCHEMBL646777

SCHEMBL646777

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SLC29A1 Q99808 1/20 0.44
NT5E P21589 2/20 0.41
LMNA P02545 2/20 0.41
PNP P00491 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
HIF1A Q16665 1/20 0.40
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
ADORA2B P29275 1/20 0.39
AHCY P23526 1/20 0.39

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
SCHEMBL6858256 0.88 CYP1A2 (0.45) CYP1A2SLC29A1NT5ELMNAPNP
SCHEMBL4370984 0.88 CYP1A2 (0.45) CYP1A2SLC29A1NT5ELMNAPNP
SCHEMBL4383154 0.83 CYP1A2 (0.41) CYP1A2SLC29A1NT5ELMNAPNP
SCHEMBL28636803 0.83 DNMT1 (0.42) CYP1A2SLC29A1NT5ELMNAPNP
SCHEMBL10446997 0.80 PNP (0.64) LMNAPNPTP53HTTPDE4D
SCHEMBL13833321 0.80 ADORA3 (0.53) NT5EPNPPDE3AADORA3
SCHEMBL12031117 0.80 ADORA3 (0.53) NT5EPNPPDE3AADORA3
SCHEMBL98907 0.80 ADORA3 (0.53) NT5EPNPPDE3AADORA3
SCHEMBL98906 0.80 ADORA3 (0.53) NT5EPNPPDE3AADORA3
SCHEMBL18759056 0.80 ADORA3 (0.53) NT5EPNPPDE3AADORA3

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 CYP1A2 3367/4885SLC29A1 2407/4885NT5E 994/4885

“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.