SCHEMBL315193

SCHEMBL315193

COc1ncc(-c2ccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.33
FTO Q9C0B1 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIK3CA P42336 1/20 0.32
CHRNA7 P36544 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NAAA Q02083 2/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL315194 1.00 MTOR (0.33) MTORFTORXFP1PIK3CACHRNA7
SCHEMBL2142627 0.89 RXFP1 (0.44) RXFP1CHRNA7NAAA
SCHEMBL2142633 0.89 RXFP1 (0.44) RXFP1CHRNA7NAAA
SCHEMBL314949 0.86 CYP11B1 (0.37) MTORRXFP1PIK3CANAAAKCNH2
SCHEMBL314948 0.86 CYP11B1 (0.37) MTORRXFP1PIK3CANAAAKCNH2
SCHEMBL314307 0.85 CHRNA7 (0.31) CHRNA7ADORA3
SCHEMBL314308 0.85 CHRNA7 (0.31) CHRNA7ADORA3
SCHEMBL2140812 0.84 CHRNA7 (0.47) RXFP1CHRNA7NAAA
SCHEMBL2140810 0.84 CHRNA7 (0.47) RXFP1CHRNA7NAAA
SCHEMBL315275 0.84 FYN (0.37) MTORRXFP1

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 MTOR 1560/4885FTO 371/4885RXFP1 4248/4885

“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.