SCHEMBL3408729

SCHEMBL3408729

CC(C)(O)CNC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
CBLB Q13191 1/20 0.37
PRMT5 O14744 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
LMNA P02545 3/20 0.35
MAP3K5 Q99683 1/20 0.34
BCHE P06276 1/20 0.34
EPHX2 P34913 1/20 0.34
ACKR3 P25106 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL975471 0.89 PTPRC (0.41) EGFRFGFR1KDRPRMT5KMT2A
SCHEMBL3405536 0.87 PRMT5 (0.41) EGFRFGFR1KDRPRMT5KMT2A
SCHEMBL3408673 0.87 DRD2 (0.40) EGFRFGFR1KDRDRD2DRD3
SCHEMBL979310 0.87 EGFR (0.39) EGFRFGFR1KDRKMT2ADRD2
SCHEMBL977201 0.86 CCR2 (0.40) EGFRFGFR1KDRKMT2A
SCHEMBL3406222 0.86 SCN9A (0.47) EGFRFGFR1KDRKMT2ADRD2
Hydrochloric Acid SCHEMBL6527164 0.86 DRD2 (0.40) EGFRFGFR1KDRDRD2DRD3
SCHEMBL975803 0.86 EGFR (0.39) EGFRFGFR1KDRPRMT5KMT2A
SCHEMBL977096 0.86 DRD2 (0.38) EGFRFGFR1KDRKMT2AANO1
SCHEMBL3406384 0.85 PRMT5 (0.39) EGFRFGFR1KDRPRMT5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EGFR 1330/4885FGFR1 2094/4885KDR 2429/4885

“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.