SCHEMBL949803

SCHEMBL949803

CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)c(C)o1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.73
CXCR1 P25024 19/20 0.73
CCR7 P32248 1/20 0.73
CCR6 P51684 1/20 0.73

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
SCHEMBL19351994 1.00 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL2019927 1.00 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL30515684 1.00 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL14319671 0.91 CXCR2 (0.71) CXCR2CXCR1CCR7CCR6
SCHEMBL12263679 0.91 CXCR2 (0.78) CXCR2CXCR1CCR7CCR6
SCHEMBL14270866 0.90 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL12262781 0.90 CXCR2 (0.76) CXCR2CXCR1CCR7CCR6
SCHEMBL12262759 0.90 CXCR2 (0.76) CXCR2CXCR1CCR7CCR6
SCHEMBL14270873 0.89 CXCR2 (0.77) CXCR2CXCR1CCR7CCR6
SCHEMBL13808725 0.89 CXCR2 (0.65) CXCR2CXCR1CCR7CCR6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178826-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME (US) 2017-05-17 EP disclosed
EP-2178826-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME (US) 2017-05-17 EP disclosed
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-20110009482-A1 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2011-01-13 US disclosed
US-20110009482-A1 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2011-01-13 US disclosed
EP-2181102-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-05-05 EP disclosed
EP-2178826-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005802-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005802-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
US-20080045489-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS PHARMACOPEIA, INC. FORMERLY KNOWN AS PHARMACOPEIA DRUG DISCOVERY, INC. 2008-02-21 US disclosed
US-20080045489-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS PHARMACOPEIA, INC. FORMERLY KNOWN AS PHARMACOPEIA DRUG DISCOVERY, INC. 2008-02-21 US disclosed
US-20080045489-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS PHARMACOPEIA, INC. FORMERLY KNOWN AS PHARMACOPEIA DRUG DISCOVERY, INC. 2008-02-21 US disclosed
WO-2008005570-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2008-01-10 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 (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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 CXCR2 5/4885CXCR1 3/4885CCR7 22/4885
US-20080045489-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR5, CXCR3, CCR2 CXCR2 14/4885CXCR1 9/4885CCR7 17/4885
US-20110009482-A1 METHODS OF TREATING COPD CXCR2, AGTR2, LTB4R2 CXCR2 1/4885CXCR1 23/4885CCR7 42/4885

“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.