SCHEMBL315429

SCHEMBL315429

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccncc3)c2)SC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAP4K4 O95819 1/20 0.32
GRM5 P41594 1/20 0.32
PDGFRB P09619 6/20 0.32
PDGFRA P16234 6/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
EGFR P00533 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL315430 1.00 ADORA3 (0.32) ADORA3CHRNB2CHRNA4MAP4K4GRM5
SCHEMBL2139791 0.90 CHRNB2 (0.41) ADORA3CHRNB2CHRNA4MAP4K4MKNK1
SCHEMBL2139785 0.90 CHRNB2 (0.41) ADORA3CHRNB2CHRNA4MAP4K4MKNK1
SCHEMBL2142244 0.88 CHRNB1 (0.41) CHRNB2MAP4K4PDGFRBPDGFRAMKNK1
SCHEMBL2142250 0.88 CHRNB1 (0.41) CHRNB2MAP4K4PDGFRBPDGFRAMKNK1
SCHEMBL2142301 0.88 CHRNB2 (0.40) ADORA3CHRNB2CHRNA4MAP4K4MKNK1
SCHEMBL2140352 0.88 CHRNB4 (0.40) CHRNB2CHRNA4MAP4K4GRM5MKNK1
SCHEMBL2142297 0.88 CHRNB2 (0.40) ADORA3CHRNB2CHRNA4MAP4K4MKNK1
SCHEMBL2140348 0.88 CHRNB4 (0.40) CHRNB2CHRNA4MAP4K4GRM5MKNK1
SCHEMBL315253 0.88 CHRNB1 (0.40) CHRNB2PDGFRBPDGFRAMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX ADORA3 2499/4885CHRNB2 4851/4885CHRNA4 4836/4885

“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.