SCHEMBL3746519

SCHEMBL3746519

Cc1ccc(C(=O)NC(CO)Cc2ccc(Cl)cc2)c(NS(=O)(=O)C2=CC=CN3SNC=C23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
CCKAR P32238 9/20 0.36
CCKBR P32239 9/20 0.36
ROCK2 O75116 2/20 0.34
PRKACA P17612 2/20 0.34
PRKX P51817 2/20 0.34
LIMK1 P53667 2/20 0.34
ROCK1 Q13464 2/20 0.34
PRKG1 Q13976 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ACLY P53396 1/20 0.34
RPS6KB1 P23443 1/20 0.34
IRAK1 P51617 1/20 0.34
PRKG2 Q13237 1/20 0.34
PKN2 Q16513 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
AURKB Q96GD4 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
PTGS2 P35354 1/20 0.33
ENPP2 Q13822 1/20 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
SCHEMBL3747773 0.94 CCKAR (0.41) EGFRCCKARCCKBRROCK2PRKACA
SCHEMBL3746529 0.82 CCKBR (0.39) CCKARCCKBRMETAP2FLT1FLT4
SCHEMBL3750854 0.82 CCKAR (0.46) CCKARCCKBRACLYMETAP2FLT1
SCHEMBL3906717 0.81 L3MBTL1 (0.38) CCKARCCKBRACLYMETAP2FLT1
SCHEMBL3753898 0.81 KDM1A (0.39) CCKARCCKBRACLYFLT1FLT4
SCHEMBL5442656 0.80 KCNA5 (0.42) CCKARCCKBRACLYFLT1FLT4
SCHEMBL3909064 0.80 KCNA5 (0.42) CCKARCCKBRACLYFLT1FLT4
SCHEMBL3748948 0.80 CCKAR (0.47) CCKARCCKBR
SCHEMBL3745154 0.80 CCKAR (0.46) CCKARCCKBR
SCHEMBL3756856 0.80 CCKAR (0.46) CCKARCCKBR

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 EGFR 1117/4885CCKAR 1/4885CCKBR 2/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 EGFR 525/4885CCKAR 1/4885CCKBR 2/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 EGFR 525/4885CCKAR 1/4885CCKBR 2/4885

“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.