SCHEMBL4671791

SCHEMBL4671791

COc1cc(CN2C(=O)N(C(CC(C)C)C(=O)O)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.47
ITGB1 P05556 10/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
LPAR1 Q92633 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CHEK1 O14757 2/20 0.39

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
SCHEMBL4671784 1.00 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4671381 0.91 ITGA4 (0.42) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4671397 0.91 ITGA4 (0.42) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4676138 0.90 ITGA4 (0.44) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4676129 0.90 ITGA4 (0.44) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL6165813 0.89 ITGA4 (0.45) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4675407 0.89 ITGA4 (0.44) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4675410 0.89 ITGA4 (0.44) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL7106614 0.88 ITGA4 (0.44) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL7073660 0.87 ITGB1 (0.46) ITGA4ITGB1

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-1414444-B1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-09 EP disclosed
US-6962937-B2 Imidazolidine derivatives, their preparation and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-11-08 US disclosed
EP-1414444-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2004-05-06 EP disclosed
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-12 US disclosed
WO-2003011288-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-13 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-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use VCAM1, ITGA1, ITGA4 ITGA4 3/4885ITGB1 5/4885MEN1 4652/4885

“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.