SCHEMBL3408730

SCHEMBL3408730

CC(C)(O)CNC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.36
F2 P00734 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK8 P45983 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
UTS2R Q9UKP6 2/20 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
SCHEMBL975469 0.89 PTPRC (0.41) DDR1F2KMT2AMEN1CACNA2D1
SCHEMBL3408675 0.88 DRD2 (0.40) F2KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL979308 0.88 CACNA2D1 (0.41) F2KMT2AMEN1CACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL6519318 0.87 DRD2 (0.39) F2KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL975805 0.87 CACNA2D1 (0.38) F2KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL3405538 0.87 CTSD (0.39) F2KMT2AMEN1RAB9ACACNA2D1
SCHEMBL977202 0.86 CCR2 (0.39) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL6518737 0.86 NPC1 (0.38) F2RAB9ACACNA2D1CACNA1BCACNB1
SCHEMBL3406221 0.86 CACNA2D1 (0.36) DDR1F2CACNA2D1CACNA1BCACNB1
SCHEMBL3406626 0.86 CTSD (0.39) F2KMT2AMEN1CACNA2D1CACNA1B

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 DDR1 4094/4885F2 1098/4885KMT2A 2918/4885

“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.