SCHEMBL3740816

SCHEMBL3740816

O=C(O)c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.67
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACLY P53396 6/20 0.47
METAP2 P50579 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GRIK1 P39086 1/20 0.44
MCL1 Q07820 3/20 0.44
KDM1A O60341 1/20 0.44
BCL2L1 Q07817 1/20 0.44
GPR27 Q9NS67 1/20 0.44

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
SCHEMBL3754066 0.84 CCKBR (0.49) CCKBRACLYALDH1A1HSD17B10MEN1
SCHEMBL3745887 0.84 GRIK1 (0.56) CCKBRACLYGRIK1KDM1A
SCHEMBL4749841 0.81 CCKBR (1.00) CCKBR
SCHEMBL3988633 0.80 ACLY (0.69) CYP2C9CYP2C19ACLYMETAP2MCL1
SCHEMBL4747136 0.79 CCKBR (0.80) CCKBR
SCHEMBL3745423 0.79 CCKBR (0.64) CCKBRMCL1BCL2L1
SCHEMBL3756076 0.79 CCKBR (0.64) CCKBRMCL1BCL2L1
SCHEMBL3745428 0.79 CCKBR (0.64) CCKBRMCL1BCL2L1
SCHEMBL4749807 0.78 CCKBR (0.54) CCKBRALDH1A1MEN1KMT2AKDM4E
SCHEMBL14717351 0.77 FABP4 (0.54) CCKBRALDH1A1HSD17B10MEN1KMT2A

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-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-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-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
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 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

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

For each of this compound's patents that has machine-readable text (3 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 2/4885CYP3A4 3024/4885CYP2C9 1988/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CCKBR 2/4885CYP3A4 4129/4885CYP2C9 2955/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CCKBR 2/4885CYP3A4 4129/4885CYP2C9 2955/4885

“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.