SCHEMBL404205

SCHEMBL404205

O=C(OCc1ccccc1)C1OCC(OS(=O)(=O)O)[C@H](OCc2ccccc2)[C@@H]1OCCCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
CASP1 P29466 1/20 0.36
BCHE P06276 2/20 0.36
SLC6A2 P23975 1/20 0.35
LMNA P02545 1/20 0.35
AGTR2 P50052 5/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FKBP1A P62942 1/20 0.33
POLB P06746 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
SCHEMBL402930 0.85 BCHE (0.41) MEN1KMT2AKLK7KLK5CASP1
SCHEMBL404381 0.83 LMNA (0.42) MEN1KMT2ACASP1SLC6A2LMNA
SCHEMBL403271 0.79 AGTR2 (0.39) MEN1KMT2ABCHELMNAAGTR2
SCHEMBL14362982 0.76 BCHE (0.40) KLK7KLK5BCHESLC6A2
SCHEMBL14362878 0.74 BCHE (0.46) KLK7KLK5BCHESLC6A2ALDH1A1
SCHEMBL14362882 0.74 BCHE (0.46) KLK7KLK5BCHESLC6A2ALDH1A1
SCHEMBL404382 0.74 KLK7 (0.42) KLK7KLK5BCHEALDH1A1TSHR
SCHEMBL14362892 0.73 BCHE (0.36) KLK7KLK5BCHESLC6A2
SCHEMBL30039963 0.72 BCHE (0.49) KLK7KLK5BCHESLC6A2
SCHEMBL30039999 0.71 BCHE (0.50) KLK7KLK5BCHESLC6A2ALDH1A1

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 MEN1 3276/4885KMT2A 3743/4885KLK7 1399/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD MEN1 3304/4885KMT2A 3760/4885KLK7 1402/4885

“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.