SCHEMBL2412409

SCHEMBL2412409

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccco3)cc2)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
CYP2C9 P11712 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL2412406 1.00 KDM4E (0.39) KDM4EMEN1ALDH1A1POLBTSHR
SCHEMBL2414880 0.87 KEAP1 (0.39) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL2414878 0.87 KEAP1 (0.39) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL315457 0.84 CHRNB2 (0.42) MEN1ALDH1A1KMT2AADORA3ADORA2A
SCHEMBL315456 0.84 CHRNB2 (0.42) MEN1ALDH1A1KMT2AADORA3ADORA2A
SCHEMBL314826 0.82 ADORA3 (0.35) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL314827 0.82 ADORA3 (0.35) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL2410075 0.78 PPARD (0.33) ADORA3LPLLIPGP2RX3
SCHEMBL2410073 0.78 PPARD (0.33) ADORA3LPLLIPGP2RX3
SCHEMBL12277875 0.77 HRH1 (0.34) ALDH1A1ADORA3ADORA2ASLC6A4SLC6A3

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 KDM4E 1719/4885MEN1 4692/4885ALDH1A1 1420/4885

“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.