SCHEMBL3409864

SCHEMBL3409864

CS(=O)(=O)N(c1cc(F)cc(C(=O)NCC2(CO)CCC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
TP53 P04637 2/20 0.34
CACNA1H O95180 2/20 0.34
CYP2D6 P10635 1/20 0.34
DDR1 Q08345 2/20 0.33
CNR1 P21554 3/20 0.32
CHRNA7 P36544 1/20 0.32
SLC6A9 P48067 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRIA2 P42262 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL6521493 0.97 F2 (0.37) F2TP53CACNA1HCYP2D6DDR1
SCHEMBL3408094 0.86 F2 (0.36) F2TP53CACNA1HDDR1SLC6A9
SCHEMBL3407502 0.86 KDM4E (0.37) F2TP53CACNA1HCYP2D6SLC6A9
SCHEMBL6525306 0.86 F2 (0.35) F2TP53CACNA1HDDR1SLC6A9
SCHEMBL3406126 0.84 F2 (0.38) F2TP53DDR1HRH3GRIA2
SCHEMBL3401787 0.84 F2 (0.39) F2TP53DDR1HRH3GRIA2
SCHEMBL976717 0.84 F2 (0.39) F2TP53DDR1CNR1SLC6A9
SCHEMBL3405699 0.83 BACE1 (0.41) F2SLC6A9HRH3BACE1
SCHEMBL3403100 0.83 BACE1 (0.38) F2TP53CACNA1HDDR1CNR1
SCHEMBL6523366 0.83 F2 (0.34) F2DDR1SLC6A9

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 F2 1098/4885TP53 2179/4885CACNA1H 979/4885

“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.