SCHEMBL3405699

SCHEMBL3405699

CS(=O)(=O)N(c1cc(F)cc(C(=O)NC(CO)CO)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.41
F2 P00734 2/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
SLC6A9 P48067 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HTT P42858 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
SCHEMBL3401743 0.92 BACE1 (0.37) BACE1F2JAK2JAK3
SCHEMBL977296 0.91 CA1 (0.36) BACE1F2JAK2JAK3SLC6A9
SCHEMBL3429829 0.90 UTS2R (0.40) BACE1F2UTS2R
SCHEMBL977151 0.88 ERAP1 (0.37) BACE1F2SLC6A9
SCHEMBL3406374 0.88 UTS2R (0.39) BACE1UTS2R
SCHEMBL3406126 0.87 F2 (0.38) BACE1F2HRH3
SCHEMBL974739 0.87 F2 (0.34) BACE1F2SLC6A9
SCHEMBL974838 0.87 F2 (0.34) BACE1F2SLC6A9
SCHEMBL977224 0.87 F2 (0.34) BACE1F2SLC6A9UTS2R
SCHEMBL3403098 0.86 BACE1 (0.36) BACE1F2SLC6A9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-03-03 US claimed
EP-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP claimed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO claimed
US-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
EP-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO 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-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME QDPR, NHERF1, GABRR1 BACE1 1652/4885F2 1098/4885JAK2 50/4885

“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.