SCHEMBL13345292

SCHEMBL13345292

CC[C@@H](Nc1no[n+]([O-])c1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1ccc(C)o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.49
CXCR1 P25024 12/20 0.49
CCR6 P51684 3/20 0.44
CCR7 P32248 1/20 0.44
CXCR3 P49682 1/20 0.37
CCR4 P51679 1/20 0.37

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
SCHEMBL13345121 0.94 CXCR2 (0.49) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13345294 0.87 CXCR1 (0.49) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13345300 0.87 CXCR2 (0.45) CXCR2CXCR1CCR6
SCHEMBL14621640 0.86 CXCR2 (0.50) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13345304 0.86 CXCR2 (0.46) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13345303 0.86 CXCR2 (0.49) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13345314 0.85 CXCR2 (0.56) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13344860 0.84 CXCR2 (0.55) CXCR2CXCR1CCR6CCR7
SCHEMBL13208914 0.83 CXCR2 (0.70) CXCR2CXCR1CCR6CCR7
SCHEMBL13345128 0.82 CXCR1 (0.49) CXCR2CXCR1CCR6CCR7CXCR3

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-7718678-B2 Di-substituted oxadiazoles as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands SCHERING CORPORATION 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands CXCR3, CXCR1, CXCR2 CXCR2 3/4885CXCR1 2/4885CCR6 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.