SCHEMBL3746034

SCHEMBL3746034

O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.74
ATM Q13315 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
CCKAR P32238 7/20 0.71

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
SCHEMBL3745368 0.91 MEN1 (0.77) CCKBRATML3MBTL1CCKAR
SCHEMBL3744910 0.88 CCKBR (0.70) CCKBRCCKAR
SCHEMBL3749920 0.88 POLB (0.72) CCKBRATML3MBTL1CCKAR
SCHEMBL5182092 0.87 CCKBR (0.67) CCKBRATML3MBTL1CCKAR
SCHEMBL1882962 0.87 L3MBTL1 (0.73) CCKBRATML3MBTL1CCKAR
SCHEMBL3741036 0.87 MEN1 (0.84) CCKBRATML3MBTL1CCKAR
SCHEMBL3747313 0.87 L3MBTL1 (0.73) CCKBRATML3MBTL1CCKAR
SCHEMBL3911114 0.87 L3MBTL1 (0.73) CCKBRATML3MBTL1
SCHEMBL3897976 0.85 CCKBR (0.76) CCKBRCCKAR
SCHEMBL3899468 0.85 L3MBTL1 (1.00) CCKBRATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 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
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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-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 2/4885ATM 1774/4885L3MBTL1 1836/4885
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR CCKBR 1/4885ATM 1486/4885L3MBTL1 1202/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CCKBR 2/4885ATM 1287/4885L3MBTL1 2839/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885ATM 1725/4885L3MBTL1 1113/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CCKBR 2/4885ATM 1287/4885L3MBTL1 2839/4885

“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.