SCHEMBL2415043

SCHEMBL2415043

O[C@@H]1[C@@H](O)[C@@H](Oc2ccccc2-c2ccoc2)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
FYN P06241 1/20 0.35
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
ACHE P22303 1/20 0.33
IMPDH2 P12268 2/20 0.32
DRD2 P14416 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL2415039 1.00 ADRA1D (0.39) ADRA1DADRA1AADRA1BFYNPTPN1
SCHEMBL2412788 0.86 TUBB4A (0.32) ADRA1DADRA1AADRA1BPTPN1PTPN6
SCHEMBL2412786 0.86 TUBB4A (0.32) ADRA1DADRA1AADRA1BPTPN1PTPN6
SCHEMBL314791 0.83 CYP1A2 (0.39) ADRA1DADRA1AADRA1BFYNPTPN1
SCHEMBL314792 0.83 CYP1A2 (0.39) ADRA1DADRA1AADRA1BFYNPTPN1
SCHEMBL316053 0.82 ADRA1D (0.34) ADRA1DADRA1AADRA1BPTPN1PTPN6
SCHEMBL316054 0.82 ADRA1D (0.34) ADRA1DADRA1AADRA1BPTPN1PTPN6
SCHEMBL2409841 0.80 ADRA2A (0.36) FYNADORA3
SCHEMBL2409844 0.80 ADRA2A (0.36) FYNADORA3
SCHEMBL2410075 0.78 PPARD (0.33) PTPN1PTPN6PTPN11ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 ADRA1D 4359/4885ADRA1A 4372/4885ADRA1B 4581/4885

“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.