SCHEMBL2413299

SCHEMBL2413299

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3cc(Cl)ccn3)c2)SC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.37
MAPKAPK2 P49137 1/20 0.35
WNK1 Q9H4A3 1/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ADORA1 P30542 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2413297 1.00 ADORA3 (0.37) ADORA3MAPKAPK2WNK1HSD17B1HSD17B2
SCHEMBL2417193 0.88 ABL1 (0.39) ADORA3WNK1
SCHEMBL2417188 0.88 ABL1 (0.39) ADORA3WNK1
SCHEMBL2409726 0.86 PRMT5 (0.38) ADORA3
SCHEMBL2409730 0.86 PRMT5 (0.38) ADORA3
SCHEMBL2411194 0.85 ROCK1 (0.35) ADORA3MAPKAPK2
SCHEMBL2411199 0.85 ROCK1 (0.35) ADORA3MAPKAPK2
SCHEMBL2413812 0.84 PRMT5 (0.39) ADORA3
SCHEMBL2413805 0.84 PRMT5 (0.39) ADORA3
SCHEMBL2407604 0.83 HSD17B1 (0.36) HSD17B1HSD17B2

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 ADORA3 3240/4885MAPKAPK2 3748/4885WNK1 3733/4885

“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.