SCHEMBL402682

SCHEMBL402682

C[C@@H]1C(C(=O)O)OCC(O)[C@@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
BCHE P06276 4/20 0.40
SLC6A2 P23975 1/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
AGTR2 P50052 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
SCHEMBL403757 0.86 BCHE (0.47) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL18193301 0.86 PDPK1 (0.44) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL18193304 0.86 PDPK1 (0.44) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL14362982 0.81 BCHE (0.40) PDPK1MTORBCHESLC6A2MAPT
SCHEMBL26879278 0.80 SLC6A2 (0.44) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL20458777 0.79 PDPK1 (0.42) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL9567647 0.78 CYP2C19 (0.41) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL8719446 0.78 CYP2C19 (0.41) PDPK1MTORBCHESLC6A2ALDH1A1
SCHEMBL18385931 0.78 SLC6A2 (0.41) PDPK1MTORBCHESLC6A2MAPT
SCHEMBL30039999 0.77 BCHE (0.50) PDPK1MTORBCHESLC6A2ALDH1A1

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 PDPK1 4161/4885MTOR 3122/4885BCHE 1419/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD PDPK1 4182/4885MTOR 3124/4885BCHE 1409/4885

“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.