SCHEMBL1705955

SCHEMBL1705955

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

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 19/20 0.54
▸ CXCR2 P25025 1/20 0.49

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
SCHEMBL1706337 0.92 CCR6 (0.56) CCR6CXCR2
SCHEMBL1706485 0.92 CCR6 (0.64) CCR6
SCHEMBL1706049 0.92 CCR6 (0.55) CCR6CXCR2
SCHEMBL13494940 0.90 CCR6 (0.53) CCR6CXCR2
SCHEMBL2520646 0.90 CCR6 (0.53) CCR6CXCR2
SCHEMBL15434986 0.90 CCR6 (0.53) CCR6CXCR2
SCHEMBL12205444 0.90 CCR6 (0.57) CCR6CXCR2
SCHEMBL1706003 0.89 CCR6 (0.51) CCR6CXCR2
SCHEMBL1579026 0.89 CXCR2 (0.63) CCR6CXCR2
SCHEMBL30515703 0.89 CXCR2 (0.63) CCR6CXCR2

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 16 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-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 — — US claimed
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 — — EP claimed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 — — WO 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
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
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 — — EP disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 — — WO 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 1/4885

“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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