SCHEMBL2392820

SCHEMBL2392820

CC[C@](C)(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c1cnc2n1[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.49
ITGB2 P05107 13/20 0.36
ICAM1 P05362 13/20 0.36
SCN9A Q15858 3/20 0.34
TMEM97 Q5BJF2 1/20 0.32
KCNH2 Q12809 2/20 0.32
SCN5A Q14524 2/20 0.32
ENPP2 Q13822 1/20 0.31
CTNNB1 P35222 1/20 0.30

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
SCHEMBL2392815 1.00 ITGAL (0.49) ITGALITGB2ICAM1SCN9ATMEM97
SCHEMBL2396100 0.94 ITGAL (0.50) ITGALITGB2ICAM1SCN9ATMEM97
SCHEMBL2396097 0.94 ITGAL (0.50) ITGALITGB2ICAM1SCN9ATMEM97
SCHEMBL12259801 0.88 ITGAL (0.64) ITGALITGB2ICAM1SCN9ATMEM97
SCHEMBL2392974 0.81 ITGAL (0.62) ITGALITGB2ICAM1TMEM97
SCHEMBL2392987 0.81 ITGAL (0.62) ITGALITGB2ICAM1TMEM97
SCHEMBL12259802 0.81 ITGAL (0.67) ITGALITGB2ICAM1TMEM97CTNNB1
SCHEMBL2394297 0.80 ITGAL (0.60) ITGALITGB2ICAM1TMEM97
SCHEMBL2392908 0.77 ITGAL (0.58) ITGALITGB2ICAM1TMEM97
SCHEMBL2392902 0.77 ITGAL (0.58) ITGALITGB2ICAM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ITGAL 74/4885ITGB2 346/4885ICAM1 4/4885

“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.