SCHEMBL316097

SCHEMBL316097

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2-c2ccc(F)nc2)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
CHEK1 O14757 1/20 0.31
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2E1 P05181 1/20 0.30
GBA1 P04062 1/20 0.30
UGCG Q16739 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL316098 1.00 MAPT (0.32) MAPTCHEK1QPCTQPCTLCYP2A6
SCHEMBL2141276 0.90 CACNA1B (0.35) MAPTCYP2C19
SCHEMBL2141281 0.90 CACNA1B (0.35) MAPTCYP2C19
SCHEMBL314864 0.86 CYP11B1 (0.43) CYP2A6CYP3A4
SCHEMBL314863 0.86 CYP11B1 (0.43) CYP2A6CYP3A4
SCHEMBL2142958 0.84 CYP11B1 (0.36) CYP2C19
SCHEMBL2142950 0.84 CYP11B1 (0.36) CYP2C19
SCHEMBL314294 0.84 PDE10A (0.33)
SCHEMBL314295 0.84 PDE10A (0.33)
SCHEMBL315590 0.83 CYP11B1 (0.40) CYP2C19

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 MAPT 4436/4885CHEK1 4839/4885QPCT 1975/4885

“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.