SCHEMBL5201131

SCHEMBL5201131

CC(C)(NC(=O)c1sc2ccccc2c1OCc1cnc2ccccn12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.59
GGPS1 O95749 1/20 0.41
FDPS P14324 1/20 0.41
SENP5 Q96HI0 14/20 0.39
SENP2 Q9HC62 14/20 0.39
SENP1 Q9P0U3 14/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL485016 0.81 CXCR2 (0.58) CXCR2KDM4EALDH1A1
SCHEMBL485651 0.80 CXCR2 (0.73) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485308 0.76 CXCR2 (0.64) CXCR2KDM4EALDH1A1
SCHEMBL485276 0.76 CXCR2 (0.61) CXCR2SENP5SENP2SENP1USP2
SCHEMBL3928722 0.75 CXCR2 (1.00) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485460 0.74 CXCR2 (0.62) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485458 0.74 CXCR2 (0.64) CXCR2SENP5SENP2SENP1USP2
SCHEMBL484955 0.72 CXCR2 (0.65) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485388 0.71 CXCR2 (0.57) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485074 0.67 CXCR2 (0.52) CXCR2ALDH1A1

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