SCHEMBL402527

SCHEMBL402527

CO[C@H]1C(OC(C)=O)COC(C(=O)OCc2ccccc2)[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
METAP2 P50579 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.39
ELANE P08246 4/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL402317 0.91 BCHE (0.45) BCHEMETAP2ALDH1A1TSHRELANE
SCHEMBL403509 0.89 BCHE (0.45) BCHEMETAP2ALDH1A1TSHRELANE
SCHEMBL14362882 0.83 BCHE (0.46) BCHEMETAP2ALDH1A1ELANEKLK7
SCHEMBL14362878 0.83 BCHE (0.46) BCHEMETAP2ALDH1A1ELANEKLK7
SCHEMBL403707 0.82 BCHE (0.45) BCHEMETAP2ALDH1A1ELANEKLK7
SCHEMBL402930 0.78 BCHE (0.41) BCHEALDH1A1TSHRELANEKLK7
SCHEMBL402557 0.77 BCHE (0.46) BCHEMETAP2ALDH1A1TSHRELANE
SCHEMBL404009 0.76 BCHE (0.47) BCHEMETAP2ALDH1A1KLK7KLK5
SCHEMBL14478933 0.76 BCHE (0.47) BCHEMETAP2ALDH1A1KLK7KLK5
SCHEMBL31536673 0.75 TSHR (0.49) ALDH1A1TSHRGAAMAPT

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 BCHE 1419/4885METAP2 1897/4885ALDH1A1 371/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD BCHE 1409/4885METAP2 1858/4885ALDH1A1 364/4885

“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.