SCHEMBL2167634

SCHEMBL2167634

O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 1.00
CCR2 P41597 1/20 0.64
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL12221307 0.89 CCR9 (0.84) CCR9LMNAHTTTP53MAPT
SCHEMBL343002 0.89 CCR9 (0.81) CCR9LMNAHTTTP53MAPT
SCHEMBL13693100 0.88 CCR9 (0.78) CCR9LMNAHTTTP53MAPT
SCHEMBL344016 0.85 CCR9 (1.00) CCR9LMNAHTT
SCHEMBL344490 0.84 CCR9 (0.72) CCR9CCR2
SCHEMBL13693107 0.83 CCR9 (0.77) CCR9LMNAHTTTP53MAPT
SCHEMBL343218 0.83 CCR9 (0.77) CCR9LMNAHTTTP53MAPT
SCHEMBL343875 0.83 CCR9 (1.00) CCR9
SCHEMBL343741 0.83 CCR9 (0.73) CCR9
SCHEMBL10248530 0.82 CCR9 (0.77) CCR9CCR2LMNAHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP claimed
EP-1798223-B1 Aryl sulfonamides CHEMOCENTRYX INC (US) 2011-07-20 EP claimed
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-8211896-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2012-07-03 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20110021523-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2011-01-27 US disclosed
US-20090270616-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC (US) 2009-10-29 US disclosed
US-7582661-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2009-09-01 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090118307-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-05-07 US disclosed
US-20080293717-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2008-11-27 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

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-20090118307-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20090270616-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20110021523-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20080293717-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885

“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.