SCHEMBL10249491

SCHEMBL10249491

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)c2cc[n+]([O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 12/20 1.00
CCR2 P41597 1/20 0.69
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
PAX8 Q06710 1/20 0.44
RCE1 Q9Y256 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43

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
SCHEMBL21202551 0.93 CCR9 (0.86) CCR9CCR2LMNAGAAALDH1A1
SCHEMBL10249492 0.88 CCR9 (1.00) CCR9CCR2
Vercirnon SCHEMBL342225 0.82 CCR9 (1.00) CCR9CCR2LMNAMAPTKMT2A
Vercirnon SCHEMBL15766988 0.81 CCR9 (0.98) CCR9CCR2LMNAMAPTKMT2A
Vercirnon SCHEMBL15766572 0.78 CCR9 (0.90) CCR9CCR2LMNAMAPTKMT2A
SCHEMBL15761702 0.74 CCR9 (0.84) CCR9CCR2LMNAMAPTKMT2A
SCHEMBL15802910 0.74 CCR9 (0.84) CCR9CCR2LMNAMAPTKMT2A
SCHEMBL16578193 0.74 CCR9 (0.59) CCR9CCR2LMNAGAAALDH1A1
SCHEMBL344260 0.73 CCR9 (1.00) CCR9CCR2LMNAMAPTKMT2A
SCHEMBL14660188 0.73 CCR9 (0.66) CCR9CCR2

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
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 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-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 (9 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-10364240-B2 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.