SCHEMBL5178735

SCHEMBL5178735

CC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1cnccc1Cl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.49
KDM4E B2RXH2 2/20 0.44
SGMS2 Q8NHU3 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SCN9A Q15858 2/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL5180671 0.92 KDM4E (0.54) CXCR2KDM4ESGMS2MRGPRX4MAPT
SCHEMBL485652 0.84 CXCR2 (0.54) CXCR2KDM4EMRGPRX4MAPT
SCHEMBL484856 0.83 CXCR2 (0.52) CXCR2KDM4EMRGPRX4HPGDSCN9A
SCHEMBL485704 0.83 CXCR2 (0.52) CXCR2KDM4EMRGPRX4
SCHEMBL485633 0.81 CXCR2 (0.51) CXCR2KDM4EMRGPRX4
SCHEMBL485011 0.81 CXCR2 (0.54) CXCR2KDM4EMRGPRX4MAPTTDP1
SCHEMBL485484 0.81 CXCR2 (0.49) CXCR2KDM4EMRGPRX4MAPTHPGD
SCHEMBL485535 0.79 MRGPRX4 (0.46) CXCR2KDM4EMRGPRX4HPGD
SCHEMBL485456 0.78 CXCR2 (0.49) CXCR2KDM4EMRGPRX4MAPTHPGD
SCHEMBL485203 0.78 CXCR2 (0.49) CXCR2KDM4EMRGPRX4MAPT

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
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP claimed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO claimed
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO disclosed