SCHEMBL4018228

SCHEMBL4018228

CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 1.00
ICAM1 P05362 20/20 1.00
ITGAL P20701 20/20 1.00

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
SCHEMBL13817247 1.00 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4018223 1.00 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL14019343 0.90 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL13817322 0.89 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL13817154 0.88 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL13817090 0.87 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL13817170 0.87 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL5000918 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL13817298 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL13817120 0.86 ITGAL (0.75) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589115-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7517897-B2 Derivatives of 6,7-dihydro-5h -imidazo[1,2-a] imidazole-3-sulfonic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20090088571-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-02 US disclosed
US-7470795-B2 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7345074-B2 Derivatives of [6,7-dihydro-5H-imidazol[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7304067-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-12-04 US disclosed
US-20060264472-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a] IMIDAZOLE-3-SULFONIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-23 US disclosed
EP-1560830-B1 DERIVATIVES OF [6, 7-DIHYDRO-5H-IMIDAZO[1,2 - A]IMIDAZOLE -3 -SULFONYLAMINO]-PROPIONAMIDE AND THEIR USE AS INHIBITORS UPON THE INTERACTION OF CAMS AND LEUKOINTEGRINS BOEHRINGER INGELHEIM PHARMA (US) 2006-10-25 EP disclosed
EP-1712553-A2 Derivates of [6, 7-dihydro - 5H - imidazo[1,2- alpha]imidazole-3-sulfonylamino]-propionamide and their use as inhibitors upon the interaction of CAMS and leukointegrins Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20060025447-A1 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
US-20050165027-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050054703-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-10 US disclosed
US-6844360-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-01-18 US disclosed
US-20040127534-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-01 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 (7 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-20060025447-A1 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 ITGB2 125/4885ICAM1 1/4885ITGAL 33/4885
US-20040127534-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide ARG1, ARG2, HPGDS ITGB2 138/4885ICAM1 4/4885ITGAL 25/4885
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE HPGDS, PTGIS, API5 ITGB2 278/4885ICAM1 8/4885ITGAL 40/4885
US-20060264472-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a] IMIDAZOLE-3-SULFONIC ACID HPGDS, ICAM1, HCLS1 ITGB2 442/4885ICAM1 2/4885ITGAL 96/4885
US-20090088571-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 ITGB2 125/4885ICAM1 1/4885ITGAL 33/4885
US-20050054703-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide HPGDS, PTGIS, API5 ITGB2 278/4885ICAM1 8/4885ITGAL 40/4885
US-20050165027-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide HPGDS, PTGIS, API5 ITGB2 278/4885ICAM1 8/4885ITGAL 40/4885

“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.