SCHEMBL315829

SCHEMBL315829

O[C@@H]1[C@@H](O)[C@H](Oc2cc(-c3ccc(F)nc3)cnc2F)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP2E1 P05181 1/20 0.34
GBA1 P04062 1/20 0.33
UGCG Q16739 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B2 P19099 2/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PDE10A Q9Y233 2/20 0.30
GRM5 P41594 1/20 0.30
PDE2A O00408 1/20 0.30
CHEK1 O14757 1/20 0.30
CYP11B1 P15538 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
SCHEMBL315830 1.00 CYP2A6 (0.34) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL316527 0.88 CYP11B2 (0.34) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL316528 0.88 CYP11B2 (0.34) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL2410535 0.86 CYP11B2 (0.39) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL2411235 0.86 GBA1 (0.34) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL2410541 0.86 CYP11B2 (0.39) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL2411233 0.86 GBA1 (0.34) CYP2A6CYP2B6CYP2E1GBA1UGCG
SCHEMBL315120 0.86 GBA1 (0.34) GBA1UGCGGBA2KCNH2HRH3
SCHEMBL315119 0.86 GBA1 (0.34) GBA1UGCGGBA2KCNH2HRH3
SCHEMBL316023 0.86 PDGFRB (0.33) CYP3A4CYP2C19

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 CYP2A6 158/4885CYP2B6 83/4885CYP2E1 162/4885

“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.