SCHEMBL2296729

SCHEMBL2296729

CC[C@@H](Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N3CCCO3)c2O)c(=O)c1=O)[C@H]1CC[C@@H](C)O1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 15/20 0.45
CXCR2 P25025 7/20 0.44
CXCR1 P25024 3/20 0.44
CXCR3 P49682 2/20 0.44
CCR4 P51679 2/20 0.44

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
SCHEMBL15434981 1.00 CCR6 (0.45) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL12424453 1.00 CCR6 (0.45) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1705871 0.90 CXCR2 (0.52) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL12230777 0.89 CCR6 (0.46) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL1706345 0.88 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL2295589 0.88 CCR6 (0.44) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL2298903 0.88 CCR6 (0.44) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL12385987 0.88 CCR6 (0.44) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL2295596 0.88 CCR6 (0.44) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL13494769 0.88 CCR6 (0.44) 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 32 patents — showing the first 20. 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-9115087-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2015-08-25 US disclosed
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-20140213594-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-07-31 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
US-8722925-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2014-05-13 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-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST NOVARTIS AG 2011-10-13 US disclosed
US-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST NOVARTIS AG 2011-10-13 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-7989497-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989497-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2011-08-02 US disclosed
WO-2010015613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100029670-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 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 (4 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 1/4885CXCR1 3/4885
US-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST CXCR2, CXCR3, CXCR1 CCR6 57/4885CXCR2 1/4885CXCR1 3/4885
US-20100029670-A1 ORGANIC COMPOUNDS CXCR2, CXCR1, CXCR3 CCR6 30/4885CXCR2 1/4885CXCR1 2/4885
US-20140213594-A1 ORGANIC COMPOUNDS CXCR2, CXCR1, CXCR3 CCR6 30/4885CXCR2 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.