SCHEMBL6515607

SCHEMBL6515607

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.46
ITGB1 P05556 16/20 0.46
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4671706 1.00 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6515595 1.00 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
Hydrochloric Acid SCHEMBL4674500 0.99 ITGA4 (0.45) ITGA4ITGB1CHEK1MEN1MAPT
Hydrochloric Acid SCHEMBL4674517 0.99 ITGA4 (0.45) ITGA4ITGB1CHEK1MEN1MAPT
Hydrochloric Acid SCHEMBL4674506 0.99 ITGA4 (0.45) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL14222075 0.93 ITGA4 (0.39) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6595778 0.93 ITGA4 (0.39) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL4672022 0.93 ITGA4 (0.39) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL8358412 0.93 ITGA4 (0.39) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL4675589 0.92 ITGA4 (0.44) ITGA4ITGB1CHEK1

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-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 5/4885CHEK1 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.