Sugi Predict

Sugi Predict / Compounds / SCHEMBL4020179

SCHEMBL4020179

SCHEMBL4020179

CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)Cl)n21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.66
▸ ICAM1 P05362 20/20 0.66
▸ ITGAL P20701 20/20 0.66

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
SCHEMBL4020169 1.00 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL13817021 0.93 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL4475134 0.92 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4480600 0.92 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4480595 0.92 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4475131 0.92 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13879122 0.88 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL14019864 0.88 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL13688338 0.87 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL4017365 0.87 ITGB2 (0.85) 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 14 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-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-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
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-20060229287-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYL]-AZETIDINE-CARBOXYLIC ACIDS, ESTERS AND AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — US disclosed
EP-1558248-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-03 — — EP 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-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-10 — — 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
WO-2004041273-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-21 — — WO 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 (6 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-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-20060229287-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYL]-AZETIDINE-CARBOXYLIC ACIDS, ESTERS AND AMIDES HPGDS, ARG1, MYADM ITGB2 743/4885ICAM1 8/4885ITGAL 249/4885
US-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide ARG1, HPGDS, MIF ITGB2 700/4885ICAM1 4/4885ITGAL 152/4885
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.