SCHEMBL3404007

SCHEMBL3404007

CS(=O)(=O)N(c1cccc(C(=O)NC2(CO)CCCC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.37
CTSD P07339 2/20 0.35
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
ROCK2 O75116 2/20 0.34
UTS2R Q9UKP6 5/20 0.34
CACNA2D1 P54289 3/20 0.34
CACNA1B Q00975 3/20 0.34
CACNB1 Q02641 3/20 0.34
CACNA1C Q13936 2/20 0.34
F2 P00734 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL3405557 0.97 UTS2R (0.35) ACKR3CTSDBACE1BACE2UTS2R
SCHEMBL3407614 0.90 CACNA2D1 (0.34) CTSDBACE1BACE2UTS2RCACNA2D1
SCHEMBL6525306 0.85 F2 (0.35) BACE1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3407502 0.85 KDM4E (0.37) CTSDBACE1BACE2UTS2RCACNA2D1
Hydrochloric Acid SCHEMBL6519318 0.85 DRD2 (0.39) UTS2RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3408675 0.84 DRD2 (0.40) CTSDBACE1BACE2CACNA2D1CACNA1B
SCHEMBL3406374 0.84 UTS2R (0.39) CTSDBACE1BACE2UTS2RCACNA2D1
SCHEMBL3406621 0.83 BACE1 (0.37) CTSDBACE1BACE2UTS2RCACNA2D1
SCHEMBL3401770 0.83 CTSD (0.39) CTSDBACE1BACE2UTS2RCACNA2D1
SCHEMBL3406221 0.82 CACNA2D1 (0.36) CTSDBACE1BACE2UTS2RCACNA2D1

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 ACKR3 2399/4885CTSD 1976/4885BACE1 1652/4885

“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.