SCHEMBL585482

SCHEMBL585482

CS(=O)(=O)NC(=O)COc1ccc(Cl)cc1Nc1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LRRK2 Q5S007 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL585644 0.88 PTGDR2 (0.67) PTGDR2
SCHEMBL1650769 0.81 L3MBTL1 (0.42) PTGDR2SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL1333486 0.78 PTGDR2 (0.67) PTGDR2ALDH1A1
SCHEMBL1332152 0.77 PTGDR2 (0.55) PTGDR2LRRK2
SCHEMBL1333570 0.76 PTGDR2 (0.46) PTGDR2CYP1A2CYP2C19LRRK2MEN1
SCHEMBL1333518 0.76 TSHR (0.50) PTGDR2SMN1; SMN2LRRK2ALDH1A1
SCHEMBL3930692 0.76 PTGDR2 (0.53) PTGDR2LRRK2
SCHEMBL1332534 0.75 PTGDR2 (0.70) PTGDR2CYP2C19
SCHEMBL1333182 0.74 PTGDR2 (0.63) PTGDR2
SCHEMBL5983987 0.73 PTGDR2 (0.52) PTGDR2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP claimed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed