SCHEMBL2616486

SCHEMBL2616486

CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 15/20 0.48
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2616493 0.85 CCR9 (0.47) CCR9MEN1RAB9AKMT2AMAPT
SCHEMBL2616479 0.81 CCR9 (0.63) CCR9MEN1RAB9AKMT2AMAPT
SCHEMBL28650 0.81 CCR9 (0.56) CCR9MEN1RAB9AKMT2AMAPT
SCHEMBL343923 0.80 CCR9 (0.76) CCR9
SCHEMBL11937067 0.80 CCR9 (0.57) CCR9
SCHEMBL10248583 0.79 MEN1 (0.47) CCR9MEN1RAB9AKMT2AMAPT
SCHEMBL12474674 0.78 CCR9 (0.63) CCR9
SCHEMBL2616494 0.78 RECQL (0.46) CCR9KMT2AALDH1A1
SCHEMBL12724369 0.78 MAPT (0.56) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL10252261 0.75 CCR9 (0.59) CCR9MEN1RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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

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 1/4885MEN1 4867/4885RAB9A 1370/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885MEN1 4870/4885RAB9A 2714/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885MEN1 4867/4885RAB9A 1370/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CCR9 2/4885MEN1 4867/4885RAB9A 2231/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885MEN1 4867/4885RAB9A 1370/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CCR9 13/4885MEN1 4870/4885RAB9A 2714/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885MEN1 4870/4885RAB9A 2714/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885MEN1 4867/4885RAB9A 1370/4885

“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.