SCHEMBL2408727

SCHEMBL2408727

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3ccncc3)c2)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
PRKCI P41743 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
EPHX1 P07099 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KIF11 P52732 1/20 0.33
NTRK1 P04629 1/20 0.33
KDR P35968 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
AURKA O14965 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.32
NOTUM Q6P988 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL2408725 1.00 MGLL (0.37) MGLLPRKCIADORA3EPHX1PRMT5
SCHEMBL2414587 0.88 MKNK1 (0.38) PRMT5WDR77
SCHEMBL2414591 0.88 MKNK1 (0.38) PRMT5WDR77
SCHEMBL2410200 0.86 PRMT5 (0.35) ADORA3PRMT5WDR77BACE1KCNH2
SCHEMBL2410204 0.86 PRMT5 (0.35) ADORA3PRMT5WDR77BACE1KCNH2
SCHEMBL2411199 0.85 ROCK1 (0.35) ADORA3KCNH2
SCHEMBL2411437 0.85 GRM5 (0.37) ADORA3
SCHEMBL2408850 0.85 WNT3A (0.38) ADORA3
SCHEMBL2411194 0.85 ROCK1 (0.35) ADORA3KCNH2
SCHEMBL2411434 0.85 GRM5 (0.37) ADORA3

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 MGLL 2248/4885PRKCI 4515/4885ADORA3 3240/4885

“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.