SCHEMBL246834

SCHEMBL246834

CN(C)C(=O)c1cccc(Nc2c(NC3(c4ccccc4)CC3)c(=O)c2=O)c1O

nearest known ligand 0.92

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 6/20 0.92
CXCR2 P25025 14/20 0.68
CXCR1 P25024 4/20 0.61

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
SCHEMBL12260594 0.96 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL12260593 0.95 CCR6 (0.98) CCR6CXCR2CXCR1
SCHEMBL12087223 0.82 CCR6 (0.76) CCR6CXCR2
SCHEMBL12570024 0.81 CXCR2 (1.00) CCR6CXCR2CXCR1
SCHEMBL20761033 0.81 CCR6 (0.72) CCR6CXCR2CXCR1
SCHEMBL14450153 0.80 CCR6 (0.61) CCR6CXCR2CXCR1
SCHEMBL13197595 0.79 CXCR2 (0.76) CCR6CXCR2CXCR1
SCHEMBL14310580 0.78 CXCR2 (0.76) CCR6CXCR2CXCR1
SCHEMBL12260597 0.78 CCR6 (0.67) CCR6CXCR2CXCR1
SCHEMBL12262520 0.78 CXCR2 (0.93) CCR6CXCR2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588092-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA Galderma Research & Development (FR) 2013-05-08 EP claimed
WO-2012001076-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO claimed
US-20130231393-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-09-05 US disclosed
EP-2588092-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA Galderma Research & Development (FR) 2013-05-08 EP disclosed
EP-1485089-B1 COMBINATION TREATMENTS FOR CHEMOKINE-MEDIATED DISEASES MERCK SHARP & DOHME (US) 2013-04-17 EP disclosed
EP-1539678-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2012-09-05 EP disclosed
WO-2012001076-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO disclosed
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-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
EP-1818325-B1 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORP (US) 2010-02-24 EP 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
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
US-20070155756-A1 Treatment of chemokine mediated diseases SCHERING CORPORATION 2007-07-05 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
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 (5 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-20130231393-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA AQP3, SUCNR1, AQP1 CCR6 3148/4885CXCR2 3127/4885CXCR1 1617/4885
US-20070155756-A1 Treatment of chemokine mediated diseases CXCR3, ACKR3, CCL11 CCR6 13/4885CXCR2 6/4885CXCR1 5/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 CCR6 19/4885CXCR2 7/4885CXCR1 3/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 CCR6 19/4885CXCR2 7/4885CXCR1 3/4885
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 CCR6 19/4885CXCR2 7/4885CXCR1 3/4885

“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.