SCHEMBL6167764

SCHEMBL6167764

COc1cc(CN2C(=O)N(C(CC(C)C)C(=O)NC(CC(=O)O)c3ccccc3)C(=O)C2(C(F)(F)F)C(F)(F)F)ccc1NC(=O)Nc1ccccc1C.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.45
ITGA4 P13612 19/20 0.45
ITGB7 P26010 1/20 0.36

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
SCHEMBL6167757 1.00 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL6164569 0.99 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL6164563 0.99 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL6167769 0.99 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL6167758 0.94 ITGA4 (0.41) ITGB1ITGA4
SCHEMBL6165075 0.92 ITGA4 (0.46) ITGB1ITGA4
SCHEMBL6165081 0.92 ITGA4 (0.46) ITGB1ITGA4
SCHEMBL6166829 0.91 ITGA4 (0.43) ITGB1ITGA4ITGB7
SCHEMBL6166820 0.91 ITGA4 (0.43) ITGB1ITGA4ITGB7
SCHEMBL5195038 0.90 ITGA4 (0.43) ITGB1ITGA4ITGB7

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-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6680333-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIALLERGENS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-20 US disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP 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-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 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-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them VCAM1, ITGA4, ITGA1 ITGB1 10/4885ITGA4 2/4885ITGB7 18/4885

“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.