SCHEMBL2417675

SCHEMBL2417675

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3ccoc3)c2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.34
ACHE P22303 1/20 0.33
CNR1 P21554 1/20 0.33
CETP P11597 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
ERN1 O75460 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
SCHEMBL2417674 1.00 SERPINE1 (0.34) SERPINE1ACHECNR1CETPHSD17B1
SCHEMBL2410075 0.84 PPARD (0.33) ERN1
SCHEMBL2410073 0.84 PPARD (0.33) ERN1
SCHEMBL315863 0.83 ALPL (0.33)
SCHEMBL315864 0.83 ALPL (0.33)
SCHEMBL2414880 0.82 KEAP1 (0.39) ERN1
SCHEMBL2414878 0.82 KEAP1 (0.39) ERN1
SCHEMBL2408727 0.81 MGLL (0.37)
SCHEMBL2408725 0.81 MGLL (0.37)
SCHEMBL2414169 0.80 CYP2A6 (0.35) CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 SERPINE1 432/4885ACHE 2421/4885CNR1 3866/4885

“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.