Sugi Predict

Sugi Predict / Compounds / SCHEMBL3407614

SCHEMBL3407614

SCHEMBL3407614

CS(=O)(=O)N(c1cccc(C(=O)NC2(CCO)CC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 4/20 0.34
▸ CACNA1B Q00975 4/20 0.34
▸ CACNB1 Q02641 4/20 0.34
▸ CACNA1C Q13936 2/20 0.34
▸ CTSD P07339 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ UTS2R Q9UKP6 6/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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 0.93 UTS2R (0.35) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
SCHEMBL3404007 0.90 ACKR3 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
SCHEMBL6523366 0.89 F2 (0.34) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL3408137 0.87 DDR1 (0.36) UTS2RF2
SCHEMBL3408675 0.85 DRD2 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
Hydrochloric Acid SCHEMBL6519318 0.85 DRD2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL3406374 0.84 UTS2R (0.39) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
SCHEMBL3407502 0.84 KDM4E (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
SCHEMBL3406621 0.83 BACE1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCTSD
SCHEMBL3401770 0.83 CTSD (0.39) CACNA2D1CACNA1BCACNB1CACNA1CCTSD

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 CACNA2D1 1878/4885CACNA1B 753/4885CACNB1 1565/4885

“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.