SCHEMBL2410028

SCHEMBL2410028

O[C@@H]1[C@@H](O)[C@@H](Oc2cc(-c3ccccn3)cc(F)c2F)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
LGALS3 P17931 4/20 0.33
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 4/20 0.33
KDM1A O60341 1/20 0.33
CBFB Q13951 1/20 0.32
KCNH2 Q12809 1/20 0.30
PDE4A P27815 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
SCHEMBL2410026 1.00 ERN1 (0.34) ERN1LGALS3PDK2KDM4EALDH1A1
SCHEMBL314954 0.87 PDK2 (0.33) ERN1PDK2PDE4A
SCHEMBL314953 0.87 PDK2 (0.33) ERN1PDK2PDE4A
SCHEMBL2415869 0.85 PDE2A (0.33) KCNH2
SCHEMBL2415867 0.85 PDE2A (0.33) KCNH2
SCHEMBL2407848 0.83 CYP17A1 (0.32)
SCHEMBL2407847 0.83 CYP17A1 (0.32)
SCHEMBL2418141 0.82 GBA1 (0.36)
SCHEMBL2411076 0.82 P2RX7 (0.38) ERN1PDK2KDM4EALDH1A1MAPK1
SCHEMBL2411069 0.82 P2RX7 (0.38) ERN1PDK2KDM4EALDH1A1MAPK1

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 ERN1 3197/4885LGALS3 2414/4885PDK2 1614/4885

“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.