SCHEMBL13344913

SCHEMBL13344913

Cc1ccc([C@H](Nc2nonc2Nc2cccc(S(=O)(=O)N3CCCC3)c2O)C(C)(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.38
CXCR1 P25024 8/20 0.37
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.34
PSMD14 O00487 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SNCA P37840 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 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
SCHEMBL14639807 0.92 CXCR2 (0.36) CXCR2CXCR1KMT2AMEN1TSHR
SCHEMBL13345439 0.90 CXCR2 (0.47) CXCR2CXCR1KMT2AMEN1TSHR
SCHEMBL13208972 0.89 CXCR2 (0.48) CXCR2CXCR1KMT2AMEN1ALDH1A1
SCHEMBL13208095 0.87 CXCR2 (0.37) CXCR2CXCR1KMT2AMEN1TSHR
SCHEMBL13345308 0.86 CXCR2 (0.37) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL14621814 0.86 CXCR2 (0.37) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL12779884 0.86 CXCR2 (0.37) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL13345170 0.86 CXCR2 (0.37) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL13344898 0.84 CXCR2 (0.51) CXCR2CXCR1KMT2AMEN1TSHR
SCHEMBL13344869 0.84 CXCR1 (0.42) CXCR2CXCR1

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 3 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
WO-2007002764-A2 DI-SUBSTITUTED OXADIAZOLES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2007-01-04 WO 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 2/4885KMT2A 4870/4885

“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.