SCHEMBL13440327

SCHEMBL13440327

Cc1ccc(C(NC2=NS(=O)(=O)N=C2Nc2cccc(C(=O)N3CCOCC3)c2O)C(C)(C)C)o1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 18/20 0.71
▸ CXCR1 P25024 18/20 0.71
▸ CCR7 P32248 1/20 0.47

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
SCHEMBL13407249 1.00 CXCR2 (0.71) CXCR2CXCR1CCR7
SCHEMBL13407246 0.93 CXCR2 (0.61) CXCR2CXCR1CCR7
SCHEMBL13439977 0.93 CXCR2 (0.61) CXCR2CXCR1CCR7
SCHEMBL13407293 0.88 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13440143 0.88 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13407256 0.87 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13948143 0.87 CXCR1 (0.54) CXCR2CXCR1CCR7
SCHEMBL13407248 0.86 CXCR2 (0.54) CXCR2CXCR1CCR7
SCHEMBL13407276 0.86 CXCR1 (0.54) CXCR2CXCR1CCR7
SCHEMBL13439952 0.86 CXCR1 (0.54) CXCR2CXCR1CCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
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