SCHEMBL2296009

SCHEMBL2296009

CC[C@@H](Nc1c(Nc2cccc(S(=O)(=O)N(CC)OC)c2O)c(=O)c1=O)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.47
CXCR1 P25024 10/20 0.47
CCR6 P51684 6/20 0.40

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
SCHEMBL2296001 1.00 CXCR2 (0.47) CXCR2CXCR1CCR6
SCHEMBL15435060 0.87 CXCR2 (0.42) CXCR2CXCR1CCR6
SCHEMBL15435095 0.87 CXCR2 (0.42) CXCR2CXCR1CCR6
SCHEMBL2300135 0.87 CXCR2 (0.42) CXCR2CXCR1CCR6
SCHEMBL13494928 0.87 CXCR2 (0.42) CXCR2CXCR1CCR6
SCHEMBL2296767 0.86 CXCR2 (0.38) CXCR2CXCR1CCR6
SCHEMBL2296772 0.86 CXCR2 (0.38) CXCR2CXCR1CCR6
SCHEMBL1580388 0.85 CCR6 (0.52) CXCR2CCR6
SCHEMBL2515881 0.85 CCR6 (0.52) CXCR2CCR6
SCHEMBL12205526 0.85 CCR6 (0.52) CXCR2CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288588-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2012-10-16 US claimed
US-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST NOVARTIS AG 2011-10-13 US claimed
US-7989497-B2 Squaramide derivatives as CXCR2 antagonist NOVARTIS AG (CH) 2011-08-02 US claimed
EP-2310359-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-15 EP disclosed
EP-2310359-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-15 EP 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-20110251205-A1 SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST CXCR2, CXCR3, CXCR1 CXCR2 1/4885CXCR1 3/4885CCR6 57/4885

“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.