SCHEMBL4675407

SCHEMBL4675407

COc1cc(CN2C(=O)N([C@@H](CC3CC3)C(=O)O)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.44
ITGB1 P05556 11/20 0.44
CHEK1 O14757 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4675410 1.00 ITGA4 (0.44) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL6166201 0.92 ITGB1 (0.42) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL4675238 0.91 ITGA4 (0.40) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL4675244 0.91 ITGA4 (0.40) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL26547102 0.91 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL4671581 0.91 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL4671585 0.91 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL6162561 0.90 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL6162555 0.90 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL6162542 0.90 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A

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 8 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-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP 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-6680333-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIALLERGENS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-20 US disclosed
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-12 US disclosed
US-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-04-17 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 (2 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-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them VCAM1, ITGA4, ITGA1 ITGA4 2/4885ITGB1 10/4885CHEK1 4680/4885
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use VCAM1, ITGA1, ITGA4 ITGA4 3/4885ITGB1 5/4885CHEK1 4683/4885

“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.