SCHEMBL5195038

SCHEMBL5195038

COc1cc(CN2C(=O)N(C(CC3CC3)C(=O)NC(CC(=O)O)c3ccccc3)C(=O)C2(C(F)(F)F)C(F)(F)F)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.43
ITGB1 P05556 17/20 0.43
ITGB7 P26010 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
SCHEMBL5195026 1.00 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL6166829 0.99 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL6166820 0.99 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL6166830 0.99 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL6166824 0.94 ITGA4 (0.39) ITGA4ITGB1
SCHEMBL6166470 0.92 ITGA4 (0.44) ITGA4ITGB1
SCHEMBL6166460 0.92 ITGA4 (0.44) ITGA4ITGB1
SCHEMBL6164563 0.91 ITGB1 (0.46) ITGA4ITGB1ITGB7
SCHEMBL6164569 0.91 ITGB1 (0.46) ITGA4ITGB1ITGB7
SCHEMBL6515553 0.91 ITGA4 (0.45) ITGA4ITGB1ITGB7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381595-B1 BIS(TRIFLUOROMETHYL)HYDANTOINS AS INTERMEDIATES FOR PHARMACEUTICALLY ACTIVE INGREDIENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-08 EP disclosed
EP-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6794517-B2 AS CHEMICAL INTERMEDIATE TO FORM DRUGS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-21 US disclosed
EP-1381595-A1 BIS(TRIFLUOROMETHYL)HYDANTOINS AS INTERMEDIATES FOR PHARMACEUTICALLY ACTIVE INGREDIENTS Aventis Pharma Deutschland GmbH (DE) 2004-01-21 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
US-20020183374-A1 Bis(trifluoromethyl)hydantoins as intermediates for pharmaceutically active ingredients SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-05 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
WO-2002072557-A1 BIS(TRIFLUOROMETHYL)HYDANTOINS AS INTERMEDIATES FOR PHARMACEUTICALLY ACTIVE INGREDIENTS 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 (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 10/4885ITGB7 18/4885
US-20020183374-A1 Bis(trifluoromethyl)hydantoins as intermediates for pharmaceutically active ingredients HRH1, ALDH7A1, HRH4 ITGA4 4753/4885ITGB1 4637/4885ITGB7 4410/4885

“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.