SCHEMBL316045

SCHEMBL316045

O[C@@H]1[C@@H](O)[C@@H](Oc2cnc(-c3ccncc3)c(F)c2)SC[C@H]1O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM1A O60341 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
SCHEMBL316044 1.00 ADORA3 (0.31) ADORA3ADORA2AADORA2BCYP3A4CYP2C19
SCHEMBL315450 0.90 WNT3A (0.33) ADORA2B
SCHEMBL315451 0.90 WNT3A (0.33) ADORA2B
SCHEMBL2142529 0.90 DHODH (0.33) ADORA3
SCHEMBL2142524 0.90 DHODH (0.33) ADORA3
SCHEMBL313964 0.88 CYP2C19 (0.35) ADORA3ADORA2BCYP3A4CYP2C19KDM1A
SCHEMBL313963 0.88 CYP2C19 (0.35) ADORA3ADORA2BCYP3A4CYP2C19KDM1A
SCHEMBL314177 0.88 WNT3A (0.36)
SCHEMBL314176 0.88 WNT3A (0.36)
SCHEMBL315132 0.87

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 ADORA3 2499/4885ADORA2A 1894/4885ADORA2B 2612/4885

“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.