SCHEMBL315864

SCHEMBL315864

O[C@@H]1[C@@H](O)[C@@H](Oc2cncc(-c3ccoc3)c2)SC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.33
PRKCZ Q05513 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
GAK O14976 1/20 0.31
FYN P06241 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL315863 1.00 ALPL (0.33) ALPLPRKCZADORA3CLK2CLK3
SCHEMBL2139785 0.84 CHRNB2 (0.41) ADORA3
SCHEMBL315430 0.84 ADORA3 (0.32) ADORA3MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2139791 0.84 CHRNB2 (0.41) ADORA3
SCHEMBL315429 0.84 ADORA3 (0.32) ADORA3MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL314973 0.84 CHRNB1 (0.36) ADORA3
SCHEMBL314972 0.84 CHRNB1 (0.36) ADORA3
SCHEMBL2417674 0.83 SERPINE1 (0.34)
SCHEMBL2417675 0.83 SERPINE1 (0.34)
SCHEMBL315031 0.83 CYP1A1 (0.41) FYNCYP1A2CYP3A4CYP2C19

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 ALPL 705/4885PRKCZ 4235/4885ADORA3 2499/4885

“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.