SCHEMBL12310974

SCHEMBL12310974

CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.78
▸ CXCR1 P25024 12/20 0.78
▸ CCR6 P51684 1/20 0.68
▸ CCR7 P32248 1/20 0.58

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
SCHEMBL12087270 1.00 CXCR2 (0.78) CXCR2CXCR1CCR6CCR7
SCHEMBL12260589 1.00 CXCR2 (0.78) CXCR2CXCR1CCR6CCR7
SCHEMBL12262102 0.93 CXCR2 (0.66) CXCR2CXCR1CCR6CCR7
SCHEMBL12311185 0.90 CXCR2 (0.81) CXCR2CXCR1CCR6CCR7
SCHEMBL13592551 0.90 CXCR2 (0.81) CXCR2CXCR1CCR6CCR7
SCHEMBL12310887 0.90 CXCR2 (0.63) CXCR2CXCR1CCR6CCR7
SCHEMBL12310877 0.89 CXCR2 (0.78) CXCR2CXCR1CCR6
SCHEMBL12086818 0.89 CXCR2 (0.78) CXCR2CXCR1CCR6
SCHEMBL12310973 0.89 CXCR2 (0.78) CXCR2CXCR1CCR6
SCHEMBL14450104 0.89 CXCR2 (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
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-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 — — US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 — — US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 — — US 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
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 (3 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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 CXCR2 7/4885CXCR1 3/4885CCR6 19/4885
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
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.

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