SCHEMBL5044909

SCHEMBL5044909

OCC1OC(n2cnc3c(SCCc4ccccc4)ncnc32)C(O)C1O

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 18/20 0.91
▸ STAT6 P42226 1/20 0.83
▸ ADORA3 P0DMS8 1/20 0.68
▸ ADORA2A P29274 1/20 0.68
▸ ADORA1 P30542 1/20 0.68

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
6-Benzylthioinosine SCHEMBL3676029 0.91 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL15427008 0.91 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617380 0.91 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617372 0.91 SLC29A1 (1.00) SLC29A1STAT6
SCHEMBL6470152 0.83 SLC29A1 (0.75) SLC29A1STAT6
SCHEMBL6470156 0.83 SLC29A1 (0.75) SLC29A1STAT6
SCHEMBL21192198 0.83 SLC29A1 (0.75) SLC29A1STAT6
SCHEMBL15623875 0.83 SLC29A1 (0.75) SLC29A1STAT6
SCHEMBL3675456 0.83 SLC29A1 (0.75) SLC29A1STAT6
SCHEMBL8500982 0.83 SLC29A1 (0.78) SLC29A1STAT6ADORA3ADORA2AADORA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005526106-A — — 2005-09-02 — — JP claimed
EP-1492803-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2005-01-05 — — EP claimed
WO-2003084975-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2003-10-16 — — WO claimed
EP-1352910-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2003-10-15 — — EP claimed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 — — US disclosed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 — — US disclosed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 — — US disclosed
US-20050096293-A1 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2005-05-05 — — US disclosed
EP-1492803-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2005-01-05 — — EP disclosed
WO-2003084975-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2003-10-16 — — WO disclosed
EP-1352910-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2003-10-15 — — EP 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-20050096293-A1 Analogs of nitrobenzylthioinosine NUDT1, TYMP, NNMT SLC29A1 159/4885STAT6 3133/4885ADORA3 1509/4885

“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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