SCHEMBL2296860

SCHEMBL2296860

CCOc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)OCCOC)c2O)c(=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 18/20 0.53
▸ CXCR2 P25025 2/20 0.51

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
SCHEMBL1579382 0.90 CXCR2 (0.61) CCR6CXCR2
SCHEMBL1706737 0.87 CCR6 (0.68) CCR6
SCHEMBL1579035 0.83 CCR6 (0.53) CCR6CXCR2
SCHEMBL20721128 0.82 CCR6 (0.64) CCR6
SCHEMBL1706775 0.81 GAA (0.53) CCR6CXCR2
SCHEMBL17871639 0.81 CXCR2 (0.48) CCR6CXCR2
SCHEMBL20721260 0.77 CCR6 (0.69) CCR6
SCHEMBL14895291 0.77 CCR6 (0.69) CCR6
SCHEMBL13494882 0.77 CXCR2 (0.53) CCR6CXCR2
SCHEMBL15435020 0.77 CXCR2 (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115087-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-20140213594-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-07-31 — — US disclosed
US-8722925-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2014-05-13 — — US disclosed
EP-2310359-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-15 — — EP disclosed
US-20130005735-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 — — US disclosed
US-8329754-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2012-12-11 — — US disclosed
US-8288588-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2012-10-16 — — US disclosed
US-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST NOVARTIS AG 2011-10-13 — — US disclosed
US-20110251206-A1 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG 2011-10-13 — — US disclosed
US-7989497-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-20100029670-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — 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-20110251206-A1 Squaramide derivatives as CXCR2 antagonist CXCR2, CXCR3, CXCR1 CCR6 57/4885CXCR2 1/4885
US-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST CXCR2, CXCR3, CXCR1 CCR6 57/4885CXCR2 1/4885
US-20100029670-A1 ORGANIC COMPOUNDS CXCR2, CXCR1, CXCR3 CCR6 30/4885CXCR2 1/4885
US-20130005735-A1 ORGANIC COMPOUNDS CXCR2, CXCR1, CXCR3 CCR6 30/4885CXCR2 1/4885
US-20140213594-A1 ORGANIC COMPOUNDS CXCR2, CXCR1, CXCR3 CCR6 30/4885CXCR2 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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