SCHEMBL314900

SCHEMBL314900

COc1ncccc1-c1ccc(O[C@@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.37
ABL1 P00519 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
DHODH Q02127 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
MTOR P42345 1/20 0.30
BTK Q06187 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
SCN9A Q15858 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL315696 1.00 PDE10A (0.37) PDE10AABL1HDAC6DHODHGABRA1
SCHEMBL3396807 0.89 ABL1 (0.31) ABL1CYP4F2CYP4A11
SCHEMBL315648 0.89 ABL1 (0.31) ABL1CYP4F2CYP4A11
SCHEMBL314284 0.88 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL315150 0.88 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL3395311 0.88 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL3400972 0.88 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL315187 0.84 SCN9A (0.34) ABL1HDAC6SCN9A
SCHEMBL315188 0.84 SCN9A (0.34) ABL1HDAC6SCN9A
SCHEMBL3395247 0.84 ABL1 (0.43) PDE10AABL1HDAC6DHODHKDM1A

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 PDE10A 1836/4885ABL1 1574/4885HDAC6 2589/4885

“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.