SCHEMBL402667

SCHEMBL402667

COc1ccc(COC2C(O)OC(COC(C)=O)C[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KCNA5 P22460 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
P2RX4 Q99571 1/20 0.35

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
SCHEMBL404326 0.88 LMNA (0.42) ALDH1A1KCNA5CYP3A4CYP2C19FABP7
SCHEMBL19976426 0.86 TSHR (0.45) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL402948 0.82 ALDH1A1 (0.41) ALDH1A1KCNA5CYP3A4CYP2C19FABP7
SCHEMBL402676 0.82 LMNA (0.34) ALDH1A1KCNA5CYP3A4CYP2C19FABP7
SCHEMBL7564025 0.78 BCHE (0.50)
SCHEMBL7564019 0.78 BCHE (0.50)
SCHEMBL13044308 0.77 TSHR (0.44) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL13044610 0.77 TSHR (0.44) ALDH1A1CYP3A4CYP2C19MAPTTSHR
SCHEMBL16018722 0.77 PDE4D (0.42) CYP2C19MAPT
SCHEMBL14362880 0.76 ALDH1A1 (0.39) ALDH1A1TSHR

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 371/4885KCNA5 1814/4885CYP3A4 538/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD ALDH1A1 364/4885KCNA5 1806/4885CYP3A4 544/4885

“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.