SCHEMBL2616488

SCHEMBL2616488

O=[N+]([O-])c1ccc(Cl)cc1C(O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE7A Q13946 5/20 0.39
CTSA P10619 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7B Q9NP56 1/20 0.36
GCK P35557 1/20 0.36

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
SCHEMBL25412246 0.81 CTSA (0.47) CTSA
SCHEMBL2616489 0.77 MAPK1 (0.39) KMT2AALDH1A1TSHRMAPK1PDE7A
SCHEMBL12724376 0.76 ALDH1A1 (0.33) KMT2AALDH1A1TSHRCTSAMAPT
SCHEMBL31067641 0.74 PRKDC (0.43) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL17064827 0.74 PRKDC (0.43) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL2616495 0.74 TSHR (0.42) KMT2AALDH1A1TSHRMAPK1PDE7A
SCHEMBL14419235 0.74 CTSA (0.48) ALDH1A1MAPK1CTSAKDM4ESMN1; SMN2
SCHEMBL343287 0.73 TSHR (0.43) KMT2AALDH1A1TSHRMAPK1PDE7A
SCHEMBL5583389 0.72 MAPK1 (0.49) KMT2AALDH1A1TSHRMAPK1PDE7A
SCHEMBL15013647 0.72 TSHR (0.42) KMT2AALDH1A1TSHRMAPK1PDE7A

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 21 patents — showing the first 20. 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-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
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885TSHR 1005/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885TSHR 841/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885TSHR 1005/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 KMT2A 2576/4885ALDH1A1 1572/4885TSHR 1538/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885TSHR 1005/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885TSHR 841/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885TSHR 841/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885TSHR 1005/4885

“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.