SCHEMBL1889332

SCHEMBL1889332

O=C(O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.69
ACLY P53396 2/20 0.53
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 1/20 0.49
CCKAR P32238 3/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL1884910 0.88 CCKBR (0.66) CCKBRCCKARPOLB
SCHEMBL1886780 0.86 CCKBR (0.69) CCKBRACLYATML3MBTL1CCKAR
SCHEMBL1889235 0.86 CCKBR (0.69) CCKBRACLYCCKAR
SCHEMBL1886131 0.86 CCKBR (0.71) CCKBRACLYCCKAR
SCHEMBL12659883 0.84 L3MBTL1 (0.68) CCKBRACLYATML3MBTL1POLB
SCHEMBL1386273 0.84 CCKBR (0.83) CCKBR
SCHEMBL1381335 0.84 CCKBR (0.83) CCKBR
SCHEMBL1888150 0.84 CCKBR (0.54) CCKBRACLYATML3MBTL1
SCHEMBL1885112 0.84 CCKBR (0.52) CCKBRACLYATML3MBTL1MCL1
SCHEMBL1882962 0.83 L3MBTL1 (0.73) CCKBRATML3MBTL1CCKARPOLB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947833-B2 methods that are useful in the preparation of amidophenyl-sulfonylamino-quinoxaline compounds CCK2 modulators are disclosed by sulfonylation JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 US disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 US disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
CN-1863782-A 2-(quinoxalin-5-ylsulfonylamino)-benzamide compounds as cck2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 CN disclosed
CN-1863781-A 2- (quinoxalin-5-ylsulfonamido) -benzamide compounds as cholecystokinin 2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 CN disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 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 (7 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR CCKBR 2/4885ACLY 913/4885ATM 1774/4885
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR CCKBR 2/4885ACLY 553/4885ATM 2026/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885ACLY 553/4885ATM 2026/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CCKBR 2/4885ACLY 2890/4885ATM 1287/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885ACLY 1898/4885ATM 1442/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR CCKBR 2/4885ACLY 1898/4885ATM 1442/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CCKBR 2/4885ACLY 2890/4885ATM 1287/4885

“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.