SCHEMBL1706775

SCHEMBL1706775

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ CCR6 P51684 18/20 0.51
▸ CXCR2 P25025 1/20 0.47

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
SCHEMBL1706737 0.87 CCR6 (0.68) CCR6
SCHEMBL1579382 0.85 CXCR2 (0.61) CCR6CXCR2
SCHEMBL1579035 0.84 CCR6 (0.53) CCR6CXCR2
SCHEMBL17871639 0.83 CXCR2 (0.48) GAACCR6CXCR2
SCHEMBL14895001 0.83 CCR6 (0.65) GAACCR6CXCR2
SCHEMBL20721128 0.83 CCR6 (0.64) CCR6
SCHEMBL17871610 0.83 CCR6 (0.47) GAACCR6
SCHEMBL20677391 0.83 CCR6 (0.49) GAACCR6
SCHEMBL2296860 0.81 CCR6 (0.53) CCR6CXCR2
SCHEMBL9978023 0.80 CCR6 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 — — US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, SULT2A1 GAA 3990/4885CCR6 51/4885CXCR2 1/4885
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS CXCR2, CXCR1, CX3CR1 GAA 4851/4885CCR6 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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