SCHEMBL2414880

SCHEMBL2414880

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3ccco3)c2)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 3/20 0.35
PRMT6 Q96LA8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC6A4 P31645 3/20 0.34
ADORA1 P30542 2/20 0.34
SIRT1 Q96EB6 2/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
ALOX5 P09917 1/20 0.32
ERN1 O75460 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TOP1 P11387 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
SCHEMBL2414878 1.00 KEAP1 (0.39) KEAP1ADORA3ADORA2APRMT6ALDH1A1
SCHEMBL2412409 0.87 KDM4E (0.39) ADORA3ADORA2AALDH1A1KDM4ESLC6A4
SCHEMBL2412406 0.87 KDM4E (0.39) ADORA3ADORA2AALDH1A1KDM4ESLC6A4
SCHEMBL315457 0.84 CHRNB2 (0.42) ADORA3ADORA2AALDH1A1HPGDSMN1; SMN2
SCHEMBL315456 0.84 CHRNB2 (0.42) ADORA3ADORA2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2417675 0.82 SERPINE1 (0.34) ERN1
SCHEMBL2417674 0.82 SERPINE1 (0.34) ERN1
SCHEMBL2412413 0.82 GSK3B (0.42) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2412416 0.82 GSK3B (0.42) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2408725 0.79 MGLL (0.37) ADORA3NPC1RAB9A

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 KEAP1 1597/4885ADORA3 3240/4885ADORA2A 2902/4885

“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.