SCHEMBL9978010

SCHEMBL9978010

CCOc1c(Nc2ccc(Cl)c(S(=O)(=O)N3CCN4C(=O)CCC4C3)c2O)c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 11/20 0.49
CXCR2 P25025 10/20 0.48
CXCR1 P25024 2/20 0.43
CXCR3 P49682 2/20 0.43
CCR4 P51679 2/20 0.43
GAA P10253 1/20 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
SCHEMBL9977969 0.86 CXCR2 (0.56) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14227595 0.86 CXCR2 (0.47) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14895001 0.85 CCR6 (0.65) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14227600 0.84 CXCR2 (0.51) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9977975 0.82 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL14227585 0.82 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978017 0.82 CCR6 (0.48) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978132 0.81 CCR6 (0.59) CCR6CXCR2CXCR1
SCHEMBL9978012 0.80 CXCR2 (0.58) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978023 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651932-B1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, SULT2A1 CCR6 51/4885CXCR2 1/4885CXCR1 6/4885

“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.