SCHEMBL316379

SCHEMBL316379

Cc1cccc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM5 P41594 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
SCHEMBL316380 1.00 CYP2A6 (0.39) CYP2A6CCR1CCR8HRH3PPARD
SCHEMBL2410202 0.88 CYP2A6 (0.35) CYP2A6CCR1CCR8PPARDPPARA
SCHEMBL2410199 0.88 CYP2A6 (0.35) CYP2A6CCR1CCR8PPARDPPARA
SCHEMBL315116 0.81 CYP3A4 (0.36) CYP2A6CCR1CCR8CYP3A4
SCHEMBL315115 0.81 CYP3A4 (0.36) CYP2A6CCR1CCR8CYP3A4
SCHEMBL2142250 0.81 CHRNB1 (0.41) CYP3A4
SCHEMBL2142244 0.81 CHRNB1 (0.41) CYP3A4
SCHEMBL315050 0.80 CYP2A6 (0.40) CYP2A6CCR1CCR8
SCHEMBL315051 0.80 CYP2A6 (0.40) CYP2A6CCR1CCR8
SCHEMBL314721 0.80 CYP2A6 (0.35) CYP2A6

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 158/4885CCR1 4535/4885CCR8 4070/4885

“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.