SCHEMBL344322

SCHEMBL344322

O=S(=O)(Nc1ccc(Cl)cc1Sc1ccncc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
CCR9 P51686 5/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PDE7A Q13946 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC40A1 Q9NP59 1/20 0.45
CCR2 P41597 2/20 0.45
CCR1 P32246 1/20 0.45
IMPDH2 P12268 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
SCHEMBL12032537 0.91 ERBB2 (0.61) ERBB2HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL344317 0.85 CCR9 (0.58) CCR9
SCHEMBL27299 0.77 CCR9 (0.52) ERBB2HSP90AA1HSP90AB1CCR9CCR2
SCHEMBL3786165 0.75 ERBB2 (0.73) ERBB2HSP90AA1HSP90AB1ALDH1A1SLC40A1
SCHEMBL7674914 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2SLC40A1CCR2CCR1
SCHEMBL15761703 0.74 CCR9 (0.79) ERBB2HSP90AA1HSP90AB1CCR9ALDH1A1
SCHEMBL11027219 0.73 ERBB2 (0.71) ERBB2HSP90AA1HSP90AB1ALDH1A1CCR2
SCHEMBL26735 0.71 CCR2 (0.49) ERBB2HSP90AA1HSP90AB1CCR9PTGS2
SCHEMBL1138730 0.71 ERBB2 (0.68) ERBB2HSP90AA1HSP90AB1ALDH1A1CCR2
SCHEMBL12838827 0.71 ERBB2 (1.00) ERBB2HSP90AA1HSP90AB1ALDH1A1CCR2

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.