SCHEMBL1706345

SCHEMBL1706345

CC[C@@H](Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2O)c(=O)c1=O)[C@H]1CC[C@@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 13/20 0.48
CXCR2 P25025 9/20 0.48
CXCR1 P25024 2/20 0.48
CXCR3 P49682 2/20 0.48
CCR4 P51679 2/20 0.48

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
SCHEMBL1705871 0.93 CXCR2 (0.52) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1706018 0.92 CCR6 (0.57) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL3352829 0.92 CCR6 (0.57) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1706285 0.91 CCR6 (0.47) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1705851 0.90 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1705868 0.90 CXCR2 (0.53) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1705859 0.90 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14008427 0.90 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14008425 0.90 CCR6 (0.49) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1705908 0.90 CCR6 (0.49) CCR6CXCR2CXCR1CXCR3CCR4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US claimed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 EP claimed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US disclosed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 EP disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 US disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 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 (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-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS CXCR2, CXCR1, CX3CR1 CCR6 20/4885CXCR2 1/4885CXCR1 2/4885

“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.