SCHEMBL343292

SCHEMBL343292

O=C(c1ccncn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 16/20 1.00
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL343002 0.87 CCR9 (0.81) CCR9
SCHEMBL343875 0.86 CCR9 (1.00) CCR9CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL11936844 0.83 CCR9 (0.71) CCR9CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL344455 0.83 CCR9 (0.76) CCR9
SCHEMBL12221307 0.83 CCR9 (0.84) CCR9
SCHEMBL343457 0.83 CCR9 (1.00) CCR9
SCHEMBL344016 0.82 CCR9 (1.00) CCR9
SCHEMBL343900 0.82 CCR9 (0.77) CCR9CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL343741 0.82 CCR9 (0.73) CCR9
SCHEMBL13693100 0.81 CCR9 (0.78) CCR9

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 US disclosed
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-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 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
EP-1798223-A2 Aryl sulfonamides ChemoCentryx Inc (US) 2007-06-20 EP 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-6939885-B2 Aryl sulfonamides CHEMOCENTRYX (US) 2005-09-06 US disclosed
EP-1562940-A2 ARYL SULFONAMIDES ChemoCentryx Inc (US) 2005-08-17 EP disclosed
US-20050165067-A1 Aryl sulfonamides CHEMOCENTRYX 2005-07-28 US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 US disclosed
US-20040171654-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004046092-A2 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-06-03 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 (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 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20040171654-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20050165067-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CYP3A4 1923/4885CYP2D6 2244/4885

“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.