SCHEMBL3407502

SCHEMBL3407502

CS(=O)(=O)N(c1cccc(C(=O)NCC2(CO)CC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
F2 P00734 2/20 0.35
CACNA2D1 P54289 3/20 0.34
CACNA1B Q00975 3/20 0.34
CACNB1 Q02641 3/20 0.34
CACNA1C Q13936 2/20 0.34
P2RX7 Q99572 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 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
SCHEMBL6521493 0.89 F2 (0.37) TP53F2CACNA1HCYP2D6BACE1
SCHEMBL3408675 0.87 DRD2 (0.40) KDM4EF2CACNA2D1CACNA1BCACNB1
SCHEMBL3405557 0.87 UTS2R (0.35) F2CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL6519318 0.86 DRD2 (0.39) KDM4EF2CACNA2D1CACNA1BCACNB1
SCHEMBL3409864 0.86 F2 (0.38) TP53F2CACNA1HCYP2D6BACE1
SCHEMBL979308 0.85 CACNA2D1 (0.41) F2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3404007 0.85 ACKR3 (0.37) KDM4ETP53F2CACNA2D1CACNA1B
SCHEMBL3406082 0.85 MEN1 (0.38) KDM4ETP53F2CACNA2D1CACNA1B
SCHEMBL975805 0.85 CACNA2D1 (0.38) KDM4EF2CACNA2D1CACNA1BCACNB1
SCHEMBL3405538 0.85 CTSD (0.39) KDM4ETP53F2CACNA2D1CACNA1B

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 KDM4E 2514/4885TP53 2179/4885F2 1098/4885

“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.