SCHEMBL13879124

SCHEMBL13879124

C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)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
SCHEMBL13817055 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4016665 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4016661 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4476749 0.85 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4476745 0.85 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4479770 0.85 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4479764 0.85 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13879123 0.85 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL13817296 0.84 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL13879126 0.83 ITGB2 (0.61) 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-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-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
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
US-20070173517-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides WIRTH THOMAS 2007-07-26 US disclosed
US-20070173517-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides WIRTH THOMAS 2007-07-26 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 (2 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-20070173517-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 ITGB2 94/4885ICAM1 1/4885ITGAL 19/4885
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

“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.