SCHEMBL13344833

SCHEMBL13344833

CC[C@@H](Nc1nonc1Nc1cccc(C(=O)N2CCCC2)c1O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.69
CXCR1 P25024 7/20 0.60
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13344839 0.93 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL14639909 0.91 CXCR2 (0.65) CXCR2CXCR1LMNATSHRSMN1; SMN2
SCHEMBL13208136 0.87 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13208137 0.87 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13344835 0.86 CXCR2 (0.57) CXCR2CXCR1LMNATSHRSMN1; SMN2
SCHEMBL14621822 0.86 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13207011 0.85 CXCR2 (0.67) CXCR2CXCR1LMNATSHRSMN1; SMN2
SCHEMBL13207010 0.85 CXCR2 (0.67) CXCR2CXCR1LMNATSHRSMN1; SMN2
SCHEMBL13345095 0.85 CXCR2 (0.64) CXCR2CXCR1LMNATSHRSMN1; SMN2
SCHEMBL14619921 0.85 CXCR2 (0.67) 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 5 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
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 2/4885LMNA 4552/4885

“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.