SCHEMBL2407604

SCHEMBL2407604

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3cccc(Cl)n3)c2)SC[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
IDH1 O75874 1/20 0.35
JAK2 O60674 1/20 0.33
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2407599 1.00 HSD17B1 (0.36) HSD17B1HSD17B2IDH1JAK2ATP4A
SCHEMBL2410202 0.86 CYP2A6 (0.35) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL2410199 0.86 CYP2A6 (0.35) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL2414216 0.84 CNR1 (0.38) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL2414214 0.84 CNR1 (0.38) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL2413297 0.83 ADORA3 (0.37) HSD17B1HSD17B2
SCHEMBL2413299 0.83 ADORA3 (0.37) HSD17B1HSD17B2
SCHEMBL2409726 0.82 PRMT5 (0.38) NPC1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL2409730 0.82 PRMT5 (0.38) NPC1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL2411194 0.81 ROCK1 (0.35)

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 2 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

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 1172/4885IDH1 2583/4885

“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.