SCHEMBL2409698

SCHEMBL2409698

Oc1ccc(-c2cccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
FYN P06241 2/20 0.33
ADORA3 P0DMS8 3/20 0.32
EGLN1 Q9GZT9 1/20 0.31
NAAA Q02083 1/20 0.31
DHODH Q02127 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
SCHEMBL2409694 1.00 HSD17B1 (0.33) HSD17B1HSD17B2FYNADORA3EGLN1
SCHEMBL2417948 0.87 GRM5 (0.36) ADORA3DHODH
SCHEMBL2412695 0.87 PRMT5 (0.40) HSD17B1HSD17B2FYNADORA3EGLN1
SCHEMBL2417950 0.87 GRM5 (0.36) ADORA3DHODH
SCHEMBL2412704 0.87 PRMT5 (0.40) HSD17B1HSD17B2FYNADORA3EGLN1
SCHEMBL2413305 0.87 NPC1 (0.38) ADORA3NAAA
SCHEMBL2413310 0.87 NPC1 (0.38) ADORA3NAAA
SCHEMBL2411109 0.85 HSD17B1 (0.49) HSD17B1HSD17B2FYNADORA3
SCHEMBL2411104 0.85 HSD17B1 (0.49) HSD17B1HSD17B2FYNADORA3
SCHEMBL2414591 0.84 MKNK1 (0.38)

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 HSD17B1 1048/4885HSD17B2 1172/4885FYN 943/4885

“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.