SCHEMBL13345166

SCHEMBL13345166

Cc1ccc([C@H](Nc2c(Nc3cccc(S(=O)(=O)N4CCCC4)c3O)no[n+]2[O-])C(C)(C)C)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.46
CXCR1 P25024 15/20 0.45
CCR7 P32248 1/20 0.41
CCR6 P51684 3/20 0.39
CXCR3 P49682 2/20 0.34
CCR4 P51679 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13345305 0.94 CXCR2 (0.46) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL13345164 0.89 CXCR2 (0.46) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL13345170 0.86 CXCR2 (0.37) CXCR2CXCR1KMT2AALDH1A1MAPT
SCHEMBL13345128 0.85 CXCR1 (0.49) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL13344898 0.85 CXCR2 (0.51) CXCR2CXCR1CCR7CCR6KMT2A
SCHEMBL13345167 0.85 CXCR2 (0.43) CXCR2CXCR1ALDH1A1MAPT
SCHEMBL13345304 0.84 CXCR2 (0.46) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL13345099 0.84 CXCR2 (0.63) CXCR2CXCR1CCR7
SCHEMBL13208969 0.83 CXCR2 (0.63) CXCR2CXCR1CCR7CCR6
SCHEMBL13208092 0.83 CXCR2 (0.49) CXCR2CXCR1CCR7CCR6KMT2A

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 2/4885CCR7 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.