SCHEMBL4688709

SCHEMBL4688709

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.55
CCKAR P32238 12/20 0.52

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
SCHEMBL1887006 0.94 CCKBR (0.59) CCKBRCCKAR
SCHEMBL5422373 0.92 CCKAR (0.55) CCKBRCCKAR
SCHEMBL1890621 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1382888 0.90 CCKBR (0.54) CCKBRCCKAR
SCHEMBL1896151 0.88 CCKBR (0.58) CCKBRCCKAR
SCHEMBL3896979 0.87 CCKBR (0.70) CCKBRCCKAR
SCHEMBL4688617 0.85 CCKBR (0.55) CCKBRCCKAR
SCHEMBL1889700 0.83 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1883626 0.82 CCKBR (0.53) CCKBRCCKAR
SCHEMBL1886736 0.82 CCKBR (0.53) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US claimed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 US claimed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 EP 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 (1 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-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885CCKAR 1/4885

“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.