SCHEMBL6165813

SCHEMBL6165813

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.45
ITGB1 P05556 11/20 0.45
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
LPAR1 Q92633 1/20 0.37
CHEK1 O14757 2/20 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
SCHEMBL6165075 0.92 ITGA4 (0.46) ITGA4ITGB1
SCHEMBL6165081 0.92 ITGA4 (0.46) ITGA4ITGB1
SCHEMBL6164563 0.90 ITGB1 (0.46) ITGA4ITGB1
SCHEMBL6164569 0.90 ITGB1 (0.46) ITGA4ITGB1
SCHEMBL5195438 0.89 ITGA4 (0.42) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL6167757 0.89 ITGB1 (0.45) ITGA4ITGB1
SCHEMBL6167769 0.89 ITGB1 (0.45) ITGA4ITGB1
SCHEMBL6167764 0.89 ITGB1 (0.45) ITGA4ITGB1
SCHEMBL4671784 0.89 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4671791 0.89 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2AMAPT

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 ITGA4 2/4885ITGB1 10/4885MEN1 4355/4885

“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.