SCHEMBL3739835

SCHEMBL3739835

O=C(NCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 12/20 0.51
CCKBR P32239 12/20 0.43
P2RX7 Q99572 4/20 0.37
KCNA5 P22460 1/20 0.35

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
SCHEMBL3744947 0.92 CCKAR (0.52) CCKARCCKBRP2RX7
SCHEMBL3745811 0.89 CCKAR (0.54) CCKARCCKBRP2RX7
SCHEMBL3900373 0.87 CCKBR (0.45) CCKARCCKBRKCNA5
SCHEMBL3750854 0.87 CCKAR (0.46) CCKARCCKBRP2RX7
SCHEMBL3752219 0.86 CCKAR (0.46) CCKARCCKBRP2RX7KCNA5
SCHEMBL3746298 0.86 CCKBR (0.46) CCKARCCKBRP2RX7
SCHEMBL3746024 0.86 ACLY (0.41)
SCHEMBL3740964 0.85 CCKBR (0.53) CCKARCCKBRKCNA5
SCHEMBL3750863 0.85 CCKBR (0.53) CCKARCCKBRKCNA5
SCHEMBL3910046 0.84 CCKBR (0.39) CCKARCCKBRKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US claimed
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
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 CCKAR 1/4885CCKBR 2/4885P2RX7 474/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CCKAR 1/4885CCKBR 2/4885P2RX7 2960/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CCKAR 1/4885CCKBR 2/4885P2RX7 2960/4885

“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.