SCHEMBL2411069

SCHEMBL2411069

O[C@@H]1[C@@H](O)[C@H](Oc2cc(-c3ccccn3)ccc2Cl)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
KMO O15229 1/20 0.36
PDK2 Q15119 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPY5R Q15761 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NTRK1 P04629 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
NOTUM Q6P988 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL2411076 1.00 P2RX7 (0.38) P2RX7KMOPDK2HCRTR1HCRTR2
SCHEMBL314954 0.82 PDK2 (0.33) PDK2GRM5PDE4AERN1
SCHEMBL2410028 0.82 ERN1 (0.34) PDK2MAPK1RAB9APDE4AERN1
SCHEMBL2410026 0.82 ERN1 (0.34) PDK2MAPK1RAB9APDE4AERN1
SCHEMBL314953 0.82 PDK2 (0.33) PDK2GRM5PDE4AERN1
SCHEMBL2410920 0.82 CYP11B2 (0.41) KMOMAPT
SCHEMBL2410924 0.82 CYP11B2 (0.41) KMOMAPT
SCHEMBL2413272 0.81 DYRK1A (0.36) P2RX7KMO
SCHEMBL2413268 0.81 DYRK1A (0.36) P2RX7KMO
SCHEMBL2411775 0.81 CYP1A2 (0.42) PDK2L3MBTL1NPC1TP53MAPK1

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 P2RX7 881/4885KMO 782/4885PDK2 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.