SCHEMBL5044754

SCHEMBL5044754

OCC1OC(n2cnc3c(SCc4ccc5nc[nH]c5c4)ncnc32)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 17/20 0.71
▸ STAT6 P42226 1/20 0.69
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ SLC28A3 Q9HAS3 1/20 0.67
▸ BLM P54132 1/20 0.67

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
SCHEMBL5037089 0.85 SLC29A1 (0.75) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL5044746 0.83 SLC29A1 (0.71) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL5040551 0.83 SLC29A1 (0.71) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL5042140 0.83 SLC29A1 (0.71) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL5040226 0.82 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A
6-Benzylthioinosine SCHEMBL3676029 0.82 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL15427008 0.82 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617380 0.82 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617372 0.82 SLC29A1 (1.00) SLC29A1STAT6
SCHEMBL5042418 0.81 SLC29A1 (0.72) SLC29A1STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492803-B1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE GRUENENTHAL GMBH (DE) 2008-06-11 — — EP claimed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 — — US claimed
JP-2005526106-A — — 2005-09-02 — — JP claimed
US-20050096293-A1 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2005-05-05 — — US 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
EP-1492803-B1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE GRUENENTHAL GMBH (DE) 2008-06-11 — — EP disclosed
EP-1492803-B1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE GRUENENTHAL GMBH (DE) 2008-06-11 — — EP 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-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 3133/4885TP53 1283/4885

“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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