SCHEMBL2616477

SCHEMBL2616477

O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.78
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC10A6 Q3KNW5 1/20 0.56

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
SCHEMBL344936 0.90 CCR9 (0.86) CCR9LMNAHTTTP53MAPT
SCHEMBL27344 0.89 CCR9 (0.78) CCR9LMNAHTTTP53MAPT
SCHEMBL12221183 0.89 LMNA (0.73) CCR9LMNAHTTTP53MAPT
SCHEMBL343170 0.88 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL28976 0.86 CCR9 (0.74) CCR9LMNAHTTTP53MAPT
SCHEMBL344098 0.85 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL342185 0.85 CCR9 (0.79) CCR9LMNAHTTTP53MAPT
SCHEMBL2169219 0.85 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL15761703 0.85 CCR9 (0.79) CCR9LMNAHTTTP53MAPT
SCHEMBL2168505 0.84 CCR9 (1.00) CCR9LMNAHTTTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 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-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-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885LMNA 4876/4885HTT 3768/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CCR9 2/4885LMNA 4007/4885HTT 3097/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CCR9 13/4885LMNA 4876/4885HTT 3768/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885LMNA 4876/4885HTT 3768/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885

“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.