SCHEMBL313964

SCHEMBL313964

O[C@@H]1[C@@H](O)[C@@H](Oc2cnc(-c3cccnc3)c(F)c2)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.35
ADORA2B P29275 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CYP2A6 P11509 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KDM1A O60341 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
SELP P16109 1/20 0.32
TYRO3 Q06418 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL313963 1.00 CYP2C19 (0.35) CYP2C19ADORA2BCYP3A4CYP11B1CYP11B2
SCHEMBL2142529 0.89 DHODH (0.33) ADORA3
SCHEMBL2142524 0.89 DHODH (0.33) ADORA3
SCHEMBL316044 0.88 ADORA3 (0.31) CYP2C19ADORA2BCYP3A4KDM1AADORA3
SCHEMBL316045 0.88 ADORA3 (0.31) CYP2C19ADORA2BCYP3A4KDM1AADORA3
SCHEMBL315485 0.87 KDM1A (0.34) KDM1A
SCHEMBL315484 0.87 KDM1A (0.34) KDM1A
SCHEMBL315132 0.87
SCHEMBL315131 0.87
SCHEMBL313939 0.86 KDM1A (0.35) CYP2C19CYP3A4CYP2A6KDM1A

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 CYP2C19 164/4885ADORA2B 2612/4885CYP3A4 126/4885

“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.