SCHEMBL404173

SCHEMBL404173

COc1ccc(COC2COC(CO)[C@@H](O)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.59
PDE4D Q08499 1/20 0.42
SLC5A1 P13866 5/20 0.40
SLC5A2 P31639 5/20 0.40
TACR1 P25103 1/20 0.40
KCNA5 P22460 1/20 0.40
LGALS8 O00214 1/20 0.39
LTA4H P09960 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL403092 0.91 SLC6A2 (0.48) SLC6A2TACR1KCNA5LTA4HSIGMAR1
SCHEMBL19145004 0.91 SLC6A2 (0.69) SLC6A2PDE4DLGALS8BCHE
SCHEMBL12803176 0.87 SLC6A2 (0.46) SLC6A2SLC5A1SLC5A2
SCHEMBL22367763 0.87 SLC6A2 (0.46) SLC6A2SLC5A1SLC5A2
SCHEMBL14363012 0.84 SLC6A2 (0.43) SLC6A2TACR1KCNA5BCHE
SCHEMBL12516420 0.81 SLC6A2 (0.62) SLC6A2PDE4DBCHE
SCHEMBL21096772 0.81 SLC6A2 (0.62) SLC6A2PDE4DBCHE
SCHEMBL2220309 0.81 SLC6A2 (0.62) SLC6A2PDE4DBCHE
SCHEMBL8717719 0.81 SLC6A2 (0.54) SLC6A2PDE4DLGALS8BCHE
SCHEMBL402639 0.81 SLC6A2 (0.60) SLC6A2PDE4DLGALS8BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 US 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 (2 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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD SLC6A2 2728/4885PDE4D 3160/4885SLC5A1 380/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD SLC6A2 2759/4885PDE4D 3189/4885SLC5A1 377/4885

“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.