SCHEMBL13439892

SCHEMBL13439892

COC1=NS(=O)(=O)N=C1NC(c1ccco1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ GAA P10253 1/20 0.31

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
SCHEMBL13406300 1.00 CXCR1 (0.35) CXCR1CXCR2GAA
SCHEMBL13406865 0.89 CXCR1 (0.35) CXCR1CXCR2GAA
SCHEMBL13439855 0.81 CXCR1 (0.36) CXCR1CXCR2
SCHEMBL13439911 0.77 MEN1 (0.35) GAA
SCHEMBL13440325 0.73 CXCR1 (0.40) CXCR1CXCR2
SCHEMBL13406303 0.73 CXCR1 (0.40) CXCR1CXCR2
SCHEMBL13406868 0.71 — —
SCHEMBL13406913 0.69 CXCR2 (0.68) CXCR1CXCR2
SCHEMBL13440321 0.69 CXCR2 (0.43) CXCR1CXCR2
SCHEMBL13947680 0.69 CXCR2 (0.43) CXCR1CXCR2

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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