SCHEMBL2411085

SCHEMBL2411085

O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2-c2cccnc2)SC[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRND Q07001 2/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 3/20 0.39
FYN P06241 1/20 0.37
PDK2 Q15119 2/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 2/20 0.35

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
SCHEMBL2411088 1.00 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL315265 0.90 HPGDS (0.37) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL315266 0.90 HPGDS (0.37) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL2409246 0.88 CYP11B1 (0.48) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL2409243 0.88 CYP11B1 (0.48) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL2409841 0.87 ADRA2A (0.36) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL2409844 0.87 ADRA2A (0.36) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL314863 0.86 CYP11B1 (0.43) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL314864 0.86 CYP11B1 (0.43) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL2411432 0.82 CYP19A1 (0.41) CYP11B1CYP11B2CYP19A1CYP2A6CYP3A4

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 CHRNB4 4878/4885CHRNA3 4871/4885CHRNA1 4781/4885

“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.