SCHEMBL314608

SCHEMBL314608

Cc1cc(-c2ccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c(F)n2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.38
MAP4K4 O95819 1/20 0.34
WNT3A P56704 3/20 0.33
PDK2 Q15119 1/20 0.32
DYRK1A Q13627 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM2 Q14416 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
SCHEMBL314609 1.00 AAK1 (0.38) AAK1MAP4K4WNT3APDK2DYRK1A
SCHEMBL314926 0.89 MAP4K4 (0.37) AAK1MAP4K4
SCHEMBL314927 0.89 MAP4K4 (0.37) AAK1MAP4K4
SCHEMBL314861 0.85 MAOB (0.34)
SCHEMBL314862 0.85 MAOB (0.34)
SCHEMBL315041 0.85 MAP2K3 (0.32)
SCHEMBL315042 0.85 MAP2K3 (0.32)
SCHEMBL1973092 0.81 GRIN1 (0.34)
SCHEMBL1973090 0.81 GRIN1 (0.34)
SCHEMBL316205 0.81 MAPT (0.34) DYRK1A

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 AAK1 3619/4885MAP4K4 4447/4885WNT3A 3522/4885

“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.