SCHEMBL10248530

SCHEMBL10248530

O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 10/20 0.77
CCR2 P41597 1/20 0.77
LMNA P02545 3/20 0.71
HTT P42858 3/20 0.71
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
KMT2A Q03164 1/20 0.60
SLC10A6 Q3KNW5 1/20 0.56
KCNA5 P22460 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL344257 0.90 CCR9 (0.75) CCR9CCR2LMNAHTTMAPT
SCHEMBL27979 0.89 LMNA (0.83) CCR9CCR2LMNAHTTMAPT
SCHEMBL28006 0.88 LMNA (0.86) CCR9CCR2LMNAHTTMAPT
Vercirnon SCHEMBL342225 0.87 CCR9 (1.00) CCR9CCR2LMNAHTTMAPT
Vercirnon SCHEMBL15766988 0.86 CCR9 (0.98) CCR9CCR2LMNAHTTMAPT
SCHEMBL10251868 0.85 BDKRB1 (0.62) CCR9CCR2LMNAHTTKMT2A
SCHEMBL28518 0.84 LMNA (0.80) CCR9CCR2LMNAHTTMAPT
SCHEMBL12242366 0.84 LMNA (0.80) CCR9LMNAHTTMAPTTP53
SCHEMBL13137558 0.84 LMNA (0.80) CCR9CCR2LMNAHTTMAPT
SCHEMBL27666 0.84 CCR9 (0.75) CCR9CCR2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-8815887-B2 Prophylactic or therapeutic method for Sjogren's syndrome MILLENIUM PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
WO-2014088113-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME USING SPECIFIC CCR9 RECEPTOR INHIBITORS/ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-12 WO disclosed
US-20140155437-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140155437-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME SSB, SCLY, HLA-DRB1 CCR9 1218/4885CCR2 1700/4885LMNA 3957/4885
US-20120014997-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-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.