SCHEMBL646778

SCHEMBL646778

NOC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.54
▸ NT5E P21589 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ STING1 Q86WV6 2/20 0.51
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ FUT5 Q11128 1/20 0.49
▸ PNP P00491 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL4370987 0.91 HINT1 (0.55) HINT1NT5EPOLBTGM2STING1
SCHEMBL13833321 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL12031117 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL16695880 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL4323450 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL18759056 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL9200583 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL98906 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL98907 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1
SCHEMBL11929887 0.89 ADORA3 (0.53) HINT1NT5EPOLBTGM2STING1

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 HINT1 2374/4885NT5E 994/4885POLB 2277/4885

“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.

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