SCHEMBL2409841

SCHEMBL2409841

O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2-c2ccncc2)SC[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HRH1 P35367 1/20 0.33
HTR1A P08908 1/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRND Q07001 2/20 0.32
KCNH2 Q12809 2/20 0.32
FYN P06241 1/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 2/20 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
SCHEMBL2409844 1.00 ADRA2A (0.36) ADRA2AADRA2BADRA2CCYP11B1CYP11B2
SCHEMBL2411085 0.87 CHRNB4 (0.46) ADRA2AADRA2BADRA2CCYP11B1CYP11B2
SCHEMBL2411088 0.87 CHRNB4 (0.46) ADRA2AADRA2BADRA2CCYP11B1CYP11B2
SCHEMBL315520 0.86 CYP1A2 (0.31) ADORA3
SCHEMBL315521 0.86 CYP1A2 (0.31) ADORA3
SCHEMBL2413225 0.86 CYP11B1 (0.43) CYP11B1CYP11B2ADORA3ADORA2AADORA2B
SCHEMBL2413219 0.86 CYP11B1 (0.43) CYP11B1CYP11B2ADORA3ADORA2AADORA2B
SCHEMBL315590 0.83 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1
SCHEMBL315589 0.83 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1
SCHEMBL2415043 0.80 ADRA1D (0.39) FYNADORA3

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 ADRA2A 4624/4885ADRA2B 4677/4885ADRA2C 3510/4885

“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.