SCHEMBL13817007

SCHEMBL13817007

C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc([SH](=O)=O)n21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.77
ICAM1 P05362 20/20 0.77
ITGAL P20701 20/20 0.77

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
SCHEMBL14566279 0.90 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL4242841 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817194 0.87 ITGB2 (0.84) ITGB2ICAM1ITGAL
SCHEMBL4242837 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817022 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13817008 0.86 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL2394410 0.85 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL2394405 0.85 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817172 0.84 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL13817004 0.84 ITGB2 (0.77) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed
WO-2007084882-A2 PROCESS FOR THE PREPARATION OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID AMIDES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-26 WO disclosed