SCHEMBL402805

SCHEMBL402805

CO[C@@H]1CC(COC(C)=O)OCC1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PDK1 Q15118 1/20 0.37
NLRP3 Q96P20 2/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR3C1 P04150 1/20 0.31
FYN P06241 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2B P18089 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL403520 0.84 ALDH1A1 (0.39) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL15837077 0.83 ALDH1A1 (0.43) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL16126994 0.83 ALDH1A1 (0.43) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL16127014 0.81 ALDH1A1 (0.41) ALDH1A1PDK1
SCHEMBL12942089 0.78 ALDH1A1 (0.39) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL18756620 0.78 ALDH1A1 (0.41) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL20344000 0.78 ALDH1A1 (0.41) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL22194032 0.78 ALDH1A1 (0.41) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL20033456 0.77 ALDH1A1 (0.38) ALDH1A1PDK1NLRP3TP53CYP3A4
SCHEMBL402695 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4

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 ALDH1A1 371/4885PDK1 2303/4885NLRP3 3837/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD ALDH1A1 364/4885PDK1 2277/4885NLRP3 3829/4885

“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.