SCHEMBL485714

SCHEMBL485714

CCC(CC)(NC(=O)c1sc2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
SENP5 Q96HI0 18/20 0.45
SENP2 Q9HC62 18/20 0.45
SENP1 Q9P0U3 18/20 0.45
USP2 O75604 1/20 0.43

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
SCHEMBL485081 0.90 CXCR2 (0.48) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485276 0.89 CXCR2 (0.61) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485073 0.83 CXCR2 (0.61) CXCR2
SCHEMBL485820 0.81 CXCR2 (0.45) CXCR2
SCHEMBL485260 0.77 SENP2 (0.56) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485845 0.77 CXCR2 (0.46) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485715 0.77 SENP5 (0.39) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485351 0.77 CXCR2 (0.56) CXCR2
SCHEMBL485458 0.76 CXCR2 (0.64) CXCR2SENP5SENP2SENP1USP2
SCHEMBL485732 0.74 CXCR2 (0.52) CXCR2SENP5SENP2SENP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed