SCHEMBL3746529

SCHEMBL3746529

CC(Cc1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.39
CCKAR P32238 15/20 0.37
SLC10A2 Q12908 1/20 0.33
SLC10A1 Q14973 1/20 0.33
SLC10A6 Q3KNW5 1/20 0.33
METAP2 P50579 1/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33

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
SCHEMBL3753898 0.89 KDM1A (0.39) CCKBRCCKARFLT1FLT4KDR
SCHEMBL3746298 0.85 CCKBR (0.46) CCKBRCCKARSLC10A2SLC10A1SLC10A6
SCHEMBL3909962 0.85 L3MBTL1 (0.38) CCKBRCCKARSLC10A2SLC10A1SLC10A6
SCHEMBL3897448 0.84 CCKBR (0.41) CCKBRCCKARSLC10A2SLC10A1SLC10A6
SCHEMBL3901296 0.83 CCKBR (0.39) CCKBRCCKARFLT1FLT4KDR
SCHEMBL3747773 0.83 CCKAR (0.41) CCKBRCCKAR
SCHEMBL3746602 0.83 CCKAR (0.56) CCKBRCCKAR
SCHEMBL3748765 0.83 CCKAR (0.51) CCKBRCCKAR
SCHEMBL3746519 0.82 EGFR (0.36) CCKBRCCKARMETAP2FLT1FLT4
SCHEMBL3748835 0.82 CCKAR (0.43) 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 9 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
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 2/4885CCKAR 1/4885SLC10A2 161/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CCKBR 2/4885CCKAR 1/4885SLC10A2 69/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 CCKBR 2/4885CCKAR 1/4885SLC10A2 69/4885

“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.