SCHEMBL402935

SCHEMBL402935

CC1(C)OCC2OCC(O)[C@H](OCc3ccccc3)[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ BCHE P06276 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ GSTP1 P09211 2/20 0.34
▸ PDE4D Q08499 1/20 0.33
▸ CYP2C9 P11712 1/20 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
SCHEMBL402863 0.83 BCHE (0.46) PDPK1MTORCYP2C19MAPTTMEM97
SCHEMBL12672520 0.83 MEN1 (0.39) PDPK1MTORCYP2C19MAPTSLC6A2
SCHEMBL21572017 0.83 BCHE (0.44) CYP2C19MAPTTMEM97SIGMAR1BCHE
SCHEMBL10148633 0.81 L3MBTL1 (0.38) PDPK1MTORCYP2C19MAPTTMEM97
SCHEMBL402934 0.80 TACR1 (0.38) CYP2C19MAPTSIGMAR1BCHEL3MBTL1
SCHEMBL21090641 0.78 SLC6A2 (0.41) PDPK1MTORCYP2C19MAPTSLC6A2
SCHEMBL14180103 0.77 PDPK1 (0.40) PDPK1MTORCYP2C19MAPTSLC6A2
SCHEMBL10573923 0.77 MAPT (0.40) CYP2C19MAPTTMEM97SIGMAR1BCHE
SCHEMBL8822994 0.76 L3MBTL1 (0.50) PDPK1MTORCYP2C19TMEM97SIGMAR1
SCHEMBL7154934 0.76 MEN1 (0.41) TMEM97SIGMAR1SLC6A2L3MBTL1IDO1

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 PDPK1 4161/4885MTOR 3122/4885CYP2C19 721/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD PDPK1 4182/4885MTOR 3124/4885CYP2C19 695/4885

“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.

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