SCHEMBL402676

SCHEMBL402676

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
TACR1 P25103 1/20 0.34
KCNA5 P22460 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NT5E P21589 1/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL404326 0.90 LMNA (0.42) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL402667 0.82 ALDH1A1 (0.39) TACR1KCNA5CYP3A4CYP2C19FABP7
SCHEMBL22073087 0.82 SSTR1 (0.43) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL14362879 0.80 BCHE (0.33) LMNAALDH1A1
SCHEMBL22423213 0.78 NT5E (0.36) LMNANT5EALDH1A1
SCHEMBL244073 0.78 NT5E (0.48) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL12606126 0.78 NT5E (0.48) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL3147435 0.78 NT5E (0.48) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL13381004 0.78 NT5E (0.48) LMNASSTR1SSTR2SSTR4SSTR3
SCHEMBL5423704 0.78 NT5E (0.48) LMNASSTR1SSTR2SSTR4SSTR3

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 LMNA 3944/4885SSTR1 1129/4885SSTR2 1923/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD LMNA 3939/4885SSTR1 1137/4885SSTR2 1923/4885

“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.