SCHEMBL4587868

SCHEMBL4587868

O=C(Nc1ccccc1Br)Nc1ccc(Cl)c(S(=O)(=O)N2CCSC(O)C2)c1O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.60
CXCR1 P25024 6/20 0.60
CX3CR1 P49238 1/20 0.44

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
SCHEMBL4586591 0.88 CXCR2 (0.69) CXCR2CXCR1CX3CR1
SCHEMBL4587453 0.88 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL4586767 0.85 CXCR2 (0.71) CXCR2CXCR1CX3CR1
SCHEMBL6566355 0.84 CXCR2 (0.76) CXCR2CXCR1
SCHEMBL4593927 0.82 CXCR2 (0.67) CXCR2CXCR1CX3CR1
SCHEMBL6563479 0.81 CXCR2 (0.65) CXCR2CXCR1CX3CR1
SCHEMBL6563473 0.81 CXCR2 (0.65) CXCR2CXCR1CX3CR1
SCHEMBL7500868 0.81 CXCR2 (0.60) CXCR2CXCR1CX3CR1
SCHEMBL5456212 0.81 CXCR2 (0.64) CXCR2CXCR1CX3CR1
Trifluoroacetic Acid SCHEMBL4594878 0.79 CXCR2 (0.67) CXCR2CXCR1

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-1812008-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-10-29 EP claimed
EP-1812008-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2007-08-01 EP claimed
WO-2006043950-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO claimed
WO-2000041685-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-20 WO disclosed