SCHEMBL5465300

SCHEMBL5465300

O=C(O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.40
BCHE P06276 4/20 0.39
ACHE P22303 3/20 0.39
TACR1 P25103 2/20 0.36
MTAP Q13126 1/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
NR1D1 P20393 1/20 0.36
ABHD6 Q9BV23 3/20 0.36
DAGLA Q9Y4D2 2/20 0.36
TACR2 P21452 1/20 0.36
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 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
SCHEMBL5447027 0.88 GBA1 (0.40) BCHEACHETACR1PDPK1MTOR
SCHEMBL18587328 0.79 AGTR2 (0.47) AGTR2NR1D1ABHD6DAGLAGBA1
SCHEMBL2914271 0.77 BCHE (0.43) AGTR2BCHEACHENR1D1ABHD6
SCHEMBL20484804 0.77 AGTR2 (0.46) AGTR2NR1D1ABHD6DAGLA
SCHEMBL18588189 0.77 AGTR2 (0.46) AGTR2NR1D1ABHD6DAGLA
SCHEMBL18587895 0.74 AGTR2 (0.47) AGTR2ACHENR1D1
SCHEMBL441959 0.74 BCHE (0.42) AGTR2BCHEACHENR1D1ABHD6
SCHEMBL20485026 0.72 AGTR2 (0.42) AGTR2NR1D1ABHD6DAGLA
SCHEMBL23908558 0.71 AGTR2 (0.45) AGTR2NR1D1ABHD6DAGLA
SCHEMBL17610289 0.71 ABCB1 (0.43)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD AGTR2 1804/4885BCHE 1409/4885ACHE 1055/4885

“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.