SCHEMBL13345263

SCHEMBL13345263

CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(C)(C)C)no[n+]2O)c1O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.69
CXCR1 P25024 18/20 0.69
CCR7 P32248 1/20 0.50
CCR6 P51684 1/20 0.49

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
SCHEMBL13369508 0.90 CXCR2 (0.68) CXCR2CXCR1CCR7CCR6
SCHEMBL14619811 0.87 CXCR2 (0.71) CXCR2CXCR1CCR7CCR6
SCHEMBL14619862 0.86 CXCR1 (0.70) CXCR2CXCR1CCR7CCR6
SCHEMBL13345058 0.85 CXCR2 (0.68) CXCR2CXCR1CCR7CCR6
SCHEMBL13344793 0.84 CXCR2 (0.78) CXCR2CXCR1CCR7CCR6
SCHEMBL14619896 0.84 CXCR1 (0.55) CXCR2CXCR1CCR7CCR6
SCHEMBL13227180 0.82 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL13208166 0.82 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL12845106 0.81 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL14620150 0.81 CXCR1 (0.73) CXCR2CXCR1CCR7CCR6

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
US-7718678-B2 Di-substituted oxadiazoles as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-05-18 US disclosed
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
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 2/4885CCR7 8/4885

“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.