SCHEMBL314867

SCHEMBL314867

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3cncc(F)c3)c2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.33
ABHD6 Q9BV23 2/20 0.32
CYP11B2 P19099 5/20 0.32
CYP11B1 P15538 2/20 0.32
KDM1A O60341 1/20 0.31
DYRK1A Q13627 2/20 0.31
PIK3CG P48736 1/20 0.31
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 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
SCHEMBL314868 1.00 ABL1 (0.33) ABL1ABHD6CYP11B2CYP11B1KDM1A
SCHEMBL1974951 0.92 ABHD6 (0.37) ABHD6KDM1A
SCHEMBL1974954 0.92 ABHD6 (0.37) ABHD6KDM1A
SCHEMBL2138631 0.90 CYP11B2 (0.38) CYP11B2CYP11B1DYRK1ACLK2CLK3
SCHEMBL2138627 0.90 CYP11B2 (0.38) CYP11B2CYP11B1DYRK1ACLK2CLK3
SCHEMBL2140348 0.90 CHRNB4 (0.40) CYP11B2CYP11B1DYRK1ACHRNB1CHRNB2
SCHEMBL2140352 0.90 CHRNB4 (0.40) CYP11B2CYP11B1DYRK1ACHRNB1CHRNB2
SCHEMBL2411825 0.89 PRMT5 (0.39) ABL1CYP11B2CYP11B1DYRK1APIK3CG
SCHEMBL2411823 0.89 PRMT5 (0.39) ABL1CYP11B2CYP11B1DYRK1APIK3CG
SCHEMBL314973 0.87 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 ABL1 1574/4885ABHD6 1743/4885CYP11B2 261/4885

“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.