SCHEMBL315457

SCHEMBL315457

O[C@@H]1[C@@H](O)[C@@H](Oc2cncc(-c3ccco3)c2)SC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
ADORA3 P0DMS8 6/20 0.35
ADORA2A P29274 6/20 0.35
ADORA1 P30542 4/20 0.35
AXL P30530 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
TOP1 P11387 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
ALPL P05186 1/20 0.31
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL315456 1.00 CHRNB2 (0.42) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL2414880 0.84 KEAP1 (0.39) ADORA3ADORA2AADORA1TOP1SCD
SCHEMBL2414878 0.84 KEAP1 (0.39) ADORA3ADORA2AADORA1TOP1SCD
SCHEMBL2412406 0.84 KDM4E (0.39) ADORA3ADORA2AADORA1SCDSCD5
SCHEMBL2412409 0.84 KDM4E (0.39) ADORA3ADORA2AADORA1SCDSCD5
SCHEMBL2139791 0.83 CHRNB2 (0.41) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL2139785 0.83 CHRNB2 (0.41) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL315863 0.82 ALPL (0.33) ADORA3ALPLKMT2AMEN1ALDH1A1
SCHEMBL315864 0.82 ALPL (0.33) ADORA3ALPLKMT2AMEN1ALDH1A1
SCHEMBL315087 0.82 MEN1 (0.31) MAPTKMT2AMEN1ALDH1A1HPGD

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 CHRNB2 4851/4885CHRNB1 4583/4885CHRNB4 4868/4885

“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.