SCHEMBL3746930

SCHEMBL3746930

CC(=O)N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.49
▸ ITGA2B P08514 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALB P02768 1/20 0.47
▸ IL2 P60568 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ CCKAR P32238 7/20 0.44
▸ CCKBR P32239 7/20 0.44
▸ ITGB1 P05556 2/20 0.42
▸ MME P08473 2/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ACE P12821 2/20 0.42
▸ FPR2 P25090 2/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL3746933 1.00 ITGB3 (0.49) ITGB3ITGA2BLMNAALBIL2
SCHEMBL5369184 0.87 LMNA (0.52) ITGB3ITGA2BLMNAALBIL2
SCHEMBL2727938 0.84 ALB (0.54) ITGB3ITGA2BLMNAALBIL2
SCHEMBL2727936 0.84 ALB (0.54) ITGB3ITGA2BLMNAALBIL2
SCHEMBL5363563 0.84 LMNA (0.50) ITGB3ITGA2BLMNATNFITGB1
SCHEMBL5371339 0.84 LMNA (0.50) ITGB3ITGA2BLMNATNFITGB1
SCHEMBL5371336 0.84 LMNA (0.50) ITGB3ITGA2BLMNATNFITGB1
SCHEMBL27477803 0.83 LMNA (0.52) ITGB3ITGA2BLMNAALBIL2
SCHEMBL27464749 0.83 LMNA (0.52) ITGB3ITGA2BLMNAALBIL2
SCHEMBL2330816 0.82 PTPN1 (0.58) ITGB3ITGA2BITGB1ACEITGAV

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 ITGB3 4395/4885ITGA2B 3727/4885LMNA 4848/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 ITGB3 4856/4885ITGA2B 4329/4885LMNA 4268/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 ITGB3 4856/4885ITGA2B 4329/4885LMNA 4268/4885

“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.

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