SCHEMBL3406663

SCHEMBL3406663

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.38
F2 P00734 2/20 0.37
TP53 P04637 4/20 0.37
THRB P10828 1/20 0.33
P2RX7 Q99572 2/20 0.33
RIPK1 Q13546 1/20 0.33
CFTR P13569 1/20 0.33
LMNA P02545 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
SCHEMBL3401787 0.91 F2 (0.39) DDR1F2TP53P2RX7RIPK1
SCHEMBL3406386 0.89 MEN1 (0.37) DDR1F2RIPK1LMNA
SCHEMBL3406126 0.89 F2 (0.38) DDR1F2TP53THRBP2RX7
SCHEMBL3661828 0.89 F2 (0.37) DDR1F2TP53THRBP2RX7
SCHEMBL1990364 0.87 F2 (0.38) DDR1F2TP53P2RX7RIPK1
SCHEMBL976717 0.86 F2 (0.39) DDR1F2TP53RIPK1
SCHEMBL3656663 0.86 F2 (0.37) DDR1F2TP53THRBP2RX7
SCHEMBL3408094 0.85 F2 (0.36) DDR1F2TP53RIPK1
SCHEMBL3403100 0.85 BACE1 (0.38) DDR1F2TP53
SCHEMBL3655106 0.85 F2 (0.38) DDR1F2TP53RIPK1

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 4 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

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 DDR1 4094/4885F2 1098/4885TP53 2179/4885

“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.