SCHEMBL12640484

SCHEMBL12640484

CN(C)C(=O)c1cccc(Nc2c(N[C@H](O)c3ccccc3)c(=O)c2=O)c1O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.80
CXCR1 P25024 9/20 0.80
CCR6 P51684 2/20 0.75

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
SCHEMBL14471158 0.90 CXCR2 (0.69) CXCR2CXCR1CCR6
SCHEMBL12262531 0.90 CXCR2 (0.81) CXCR2CXCR1CCR6
SCHEMBL12262495 0.89 CXCR2 (0.80) CXCR2CXCR1CCR6
SCHEMBL12262491 0.89 CXCR2 (0.80) CXCR2CXCR1CCR6
SCHEMBL248295 0.89 CXCR2 (1.00) CXCR2CXCR1CCR6
SCHEMBL12086787 0.89 CXCR2 (1.00) CXCR2CXCR1CCR6
SCHEMBL12262239 0.89 CXCR2 (1.00) CXCR2CXCR1CCR6
SCHEMBL12262382 0.88 CXCR2 (0.82) CXCR2CXCR1CCR6
SCHEMBL12260485 0.88 CXCR2 (0.82) CXCR2CXCR1CCR6
SCHEMBL12262563 0.87 CXCR2 (0.80) CXCR2CXCR1CCR6

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-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-20070155756-A1 Treatment of chemokine mediated diseases SCHERING CORPORATION 2007-07-05 US disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 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 (2 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-20070155756-A1 Treatment of chemokine mediated diseases CXCR3, ACKR3, CCL11 CXCR2 6/4885CXCR1 5/4885CCR6 13/4885
US-20070021494-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.