SCHEMBL12259802

SCHEMBL12259802

C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)c(F)c(Cl)c2)c2ncc(C(=O)N[C@@H](CCC(=O)O)C(=O)NC3(c4ccccn4)CC3)n21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.67
TMEM97 Q5BJF2 1/20 0.38
ITGB2 P05107 11/20 0.38
ICAM1 P05362 11/20 0.38
CTSL P07711 2/20 0.33
CTNNB1 P35222 4/20 0.32
CDH1 P12830 1/20 0.32
TCF7 P36402 1/20 0.32
GCGR P47871 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL12259801 0.93 ITGAL (0.64) ITGALTMEM97ITGB2ICAM1CTSL
SCHEMBL12310658 0.87 ITGAL (0.51) ITGALCTSLGCGR
SCHEMBL2396097 0.86 ITGAL (0.50) ITGALTMEM97ITGB2ICAM1CTNNB1
SCHEMBL2396100 0.86 ITGAL (0.50) ITGALTMEM97ITGB2ICAM1CTNNB1
SCHEMBL13804309 0.84 ITGAL (0.73) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392945 0.83 ITGAL (0.86) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804336 0.82 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804334 0.82 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL12310655 0.81 ITGAL (0.50) ITGAL
SCHEMBL2392902 0.81 ITGAL (0.58) ITGALTMEM97ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
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-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
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (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 74/4885TMEM97 3442/4885ITGB2 346/4885

“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.