SCHEMBL4472042

SCHEMBL4472042

C[C@@]1(Cc2ccc(-c3cccnc3N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)O)n21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.60
ICAM1 P05362 20/20 0.60
ITGAL P20701 20/20 0.60

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
SCHEMBL4472047 1.00 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL5990881 0.93 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL5990887 0.93 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL4464784 0.89 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL4474730 0.89 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL4462932 0.88 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL4462940 0.88 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL14566293 0.86 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL4461725 0.85 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL5990711 0.85 ITGB2 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2007027233-A2 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2007-03-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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

“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.