SCHEMBL342954

SCHEMBL342954

O=S(=O)(Nc1ccc(Cl)cc1S(=O)(=O)c1cc[n+]([O-])cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
CCR2 P41597 5/20 0.51
CCR9 P51686 3/20 0.51
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KIF18A Q8NI77 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL12032535 0.91 ERBB2 (0.66) ERBB2HSP90AA1HSP90AB1CCR2LMNA
SCHEMBL345093 0.86 CCR9 (0.68) CCR2CCR9
SCHEMBL28340 0.80 CCR9 (0.56) ERBB2HSP90AA1HSP90AB1CCR2CCR9
SCHEMBL10248530 0.78 CCR9 (0.77) CCR2CCR9LMNAHTTALDH1A1
SCHEMBL6534765 0.78 HTR6 (0.65) ERBB2HSP90AA1HSP90AB1KIF18AALDH1A1
SCHEMBL3786165 0.76 ERBB2 (0.73) ERBB2HSP90AA1HSP90AB1CCR2LMNA
SCHEMBL28226727 0.75 KIF18A (0.50) ERBB2HSP90AA1HSP90AB1CCR2KIF18A
SCHEMBL11027219 0.74 ERBB2 (0.71) ERBB2HSP90AA1HSP90AB1CCR2LMNA
SCHEMBL16479407 0.72 POLB (0.53) CCR9LMNAHTTALDH1A1
SCHEMBL1138730 0.72 ERBB2 (0.68) ERBB2HSP90AA1HSP90AB1CCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 US disclosed
US-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 US disclosed
US-20170369483-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2017-12-28 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 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 (8 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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ERBB2 1543/4885HSP90AA1 2306/4885HSP90AB1 2221/4885

“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.