SCHEMBL315274

SCHEMBL315274

COc1cncc(-c2ccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.37
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MTOR P42345 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KDM1A O60341 1/20 0.33
ALOX5AP P20292 1/20 0.33
SYK P43405 1/20 0.33
GRM5 P41594 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL315275 1.00 FYN (0.37) FYNCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL315152 0.88 CHRNA7 (0.35) CYP11B1CYP11B2CYP3A4
SCHEMBL315153 0.88 CHRNA7 (0.35) CYP11B1CYP11B2CYP3A4
SCHEMBL2142627 0.88 RXFP1 (0.44) FYNCYP11B1RXFP1
SCHEMBL2142633 0.88 RXFP1 (0.44) FYNCYP11B1RXFP1
SCHEMBL315032 0.86 CYP1A1 (0.41) FYNCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL315031 0.86 CYP1A1 (0.41) FYNCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL315116 0.86 CYP3A4 (0.36) FYNCYP3A4CHRNB1CHRNB2CHRNB4
SCHEMBL315115 0.86 CYP3A4 (0.36) FYNCYP3A4CHRNB1CHRNB2CHRNB4
SCHEMBL316907 0.86 GRM5 (0.32) MTORKDM1AGRM5

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 FYN 425/4885CYP11B1 295/4885CYP11B2 261/4885

“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.