SCHEMBL13591032

SCHEMBL13591032

Cc1ccc([C@H](Nc2c(Nc3cccc(S(=O)(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)F)o1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.71
CXCR1 P25024 16/20 0.71
CCR6 P51684 6/20 0.62
CCR7 P32248 3/20 0.60
CXCR3 P49682 2/20 0.53
CCR4 P51679 2/20 0.53

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
SCHEMBL24755300 0.92 CCR6 (0.72) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL248399 0.84 CXCR2 (0.69) CXCR2CXCR1CCR6CCR7
SCHEMBL12087136 0.83 CXCR2 (1.00) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL14894836 0.81 CXCR1 (1.00) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL14894868 0.81 CXCR1 (1.00) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL18310047 0.79 CXCR2 (0.85) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL13344889 0.78 CXCR2 (0.56) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL12263365 0.78 CXCR2 (0.59) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL24755302 0.78 CCR6 (0.73) CXCR2CXCR1CCR6CCR7
SCHEMBL12087196 0.77 CXCR2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 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-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 CXCR2 7/4885CXCR1 3/4885CCR6 19/4885

“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.