SCHEMBL315388

SCHEMBL315388

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3cc4ccccc4s3)c2)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
TBK1 Q9UHD2 1/20 0.36
FYN P06241 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
GRIN2B Q13224 1/20 0.33
AKT1 P31749 5/20 0.33
CDK2 P24941 3/20 0.33
PLK4 O00444 2/20 0.33
MAPK13 O15264 2/20 0.33
PDPK1 O15530 2/20 0.33
DAPK3 O43293 2/20 0.33
ROCK2 O75116 2/20 0.33
CHEK2 O96017 2/20 0.33
PRKCG P05129 2/20 0.33
CDK1 P06493 2/20 0.33

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
SCHEMBL2139791 0.82 CHRNB2 (0.41)
SCHEMBL2139785 0.82 CHRNB2 (0.41)
SCHEMBL314313 0.80 CHRNB1 (0.43) FYNGRIN2BCHEK2PRKCZDYRK1A
SCHEMBL314312 0.80 CHRNB1 (0.43) FYNGRIN2BCHEK2PRKCZDYRK1A
SCHEMBL315389 0.79 CHRNB1 (0.30)
SCHEMBL315387 0.79 CHRNB1 (0.30)
SCHEMBL316309 0.78 CHRNB1 (0.46) CA1CA2CA9
SCHEMBL315252 0.78 CHRNB1 (0.40) DYRK1AEGFR
SCHEMBL315253 0.78 CHRNB1 (0.40) DYRK1AEGFR
SCHEMBL315430 0.77 ADORA3 (0.32) MAPK1AURKBEGFR

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 APP 4086/4885TBK1 4166/4885FYN 425/4885

“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.