SCHEMBL9978166

SCHEMBL9978166

CC[C@@H](Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N3CCC4(CC3)COCCN4)c2O)c(=O)c1=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 10/20 0.59
CXCR2 P25025 11/20 0.49
CXCR1 P25024 2/20 0.46
CXCR3 P49682 1/20 0.46
CCR4 P51679 1/20 0.46

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
SCHEMBL9977978 0.88 CXCR2 (0.58) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978167 0.86 CXCR2 (0.47) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL30515691 0.84 CCR6 (0.66) CCR6CXCR2CXCR1
SCHEMBL9978020 0.84 CCR6 (0.66) CCR6CXCR2CXCR1
SCHEMBL20452209 0.84 CCR6 (0.66) CCR6CXCR2CXCR1
SCHEMBL9977986 0.84 CCR6 (0.61) CCR6CXCR2CXCR1
SCHEMBL9977980 0.82 CCR6 (0.49) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978133 0.79 CCR6 (0.58) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL20452263 0.76 CCR6 (0.60) CCR6CXCR2CXCR1CXCR3CCR4
SCHEMBL9978155 0.76 CCR6 (0.60) 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 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.