SCHEMBL2409614

SCHEMBL2409614

COc1ncc(-c2cccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
DHFR P00374 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FYN P06241 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2409620 1.00 FTO (0.40) FTOPRMT5WDR77ADORA3DHFR
SCHEMBL2411104 0.86 HSD17B1 (0.49) ADORA3FYNGRM5CYP1A2CYP3A4
SCHEMBL2411109 0.86 HSD17B1 (0.49) ADORA3FYNGRM5CYP1A2CYP3A4
SCHEMBL2411961 0.85 CYP11B1 (0.41) PDGFRBPDGFRAFYNBACE1CYP1A2
SCHEMBL2411967 0.85 CYP11B1 (0.41) PDGFRBPDGFRAFYNBACE1CYP1A2
SCHEMBL315143 0.85 FTO (0.36) FTOPRMT5WDR77ADORA3FYN
SCHEMBL315142 0.85 FTO (0.36) FTOPRMT5WDR77ADORA3FYN
SCHEMBL2410200 0.84 PRMT5 (0.35) PRMT5WDR77ADORA3BACE1KCNH2
SCHEMBL2410204 0.84 PRMT5 (0.35) PRMT5WDR77ADORA3BACE1KCNH2
SCHEMBL2412704 0.84 PRMT5 (0.40) PRMT5WDR77ADORA3FYNALDH1A1

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 FTO 902/4885PRMT5 961/4885WDR77 3751/4885

“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.