SCHEMBL5040068

SCHEMBL5040068

OCC1OC(n2cnc3c(SC(Cc4ccccc4)c4cnon4)ncnc32)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 11/20 0.63
▸ STAT6 P42226 1/20 0.63
▸ ADORA3 P0DMS8 4/20 0.57
▸ ADORA2A P29274 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ THPO P40225 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL5037015 0.80 SLC29A1 (0.62) SLC29A1STAT6ADORA3ADORA2AADORA1
6-Benzylthioinosine SCHEMBL15427008 0.78 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617372 0.78 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL3676029 0.78 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617380 0.78 SLC29A1 (1.00) SLC29A1STAT6
SCHEMBL5044909 0.77 SLC29A1 (0.91) SLC29A1STAT6ADORA3ADORA2AADORA1
SCHEMBL9350374 0.75 SLC29A1 (0.74) SLC29A1STAT6ADORA3ADORA2AADORA1
SCHEMBL9347373 0.75 SLC29A1 (0.74) SLC29A1STAT6ADORA3ADORA2AADORA1
SCHEMBL8500982 0.74 SLC29A1 (0.78) SLC29A1STAT6ADORA3ADORA2AADORA1
SCHEMBL17824407 0.73 SLC29A1 (0.73) SLC29A1STAT6ADORA3ADORA2ATSHR

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 13 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
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.

Send feedback