SCHEMBL6509932

SCHEMBL6509932

CC(C)(C)OC(=O)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.68
ITGA4 P13612 20/20 0.68
ITGA2 P17301 1/20 0.54
ITGB7 P26010 1/20 0.54

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
SCHEMBL6508908 0.87 ITGA4 (0.80) ITGB1ITGA4
SCHEMBL2880989 0.86 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL6510378 0.82 ITGA4 (0.71) ITGB1ITGA4
SCHEMBL6509079 0.80 ITGB1 (0.84) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6530895 0.79 ITGB1 (0.78) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6530545 0.78 ITGB1 (0.71) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27543603 0.78 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561608 0.78 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7246708 0.78 ITGA4 (0.77) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6562715 0.78 ITGB1 (0.77) ITGB1ITGA4ITGA2ITGB7

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
US-20050215598-A1 Phenylalanine derivatives CELLTECH R&D LTD. (GB) 2005-09-29 US claimed
EP-1056714-B1 PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LTD (GB) 2004-08-11 EP claimed
US-20030166691-A1 Phenylalanine derivatives ARCHIBALD SARAH CATHERINE (GB) 2003-09-04 US claimed
US-6555562-B1 2-Carboxybenzoyl-(N'-3,5-dichloroisonicotinoyl)-L-4aminophenyl alanine, for example; inhibit the binding of alpha-4 integrins to their ligands, use to treat immune or inflammatory disorders CELLTECH R&D LIMITED (GB) 2003-04-29 US claimed
US-20050215598-A1 Phenylalanine derivatives CELLTECH R&D LTD. (GB) 2005-09-29 US disclosed
EP-1056714-B1 PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LTD (GB) 2004-08-11 EP disclosed
US-20030166691-A1 Phenylalanine derivatives ARCHIBALD SARAH CATHERINE (GB) 2003-09-04 US disclosed
US-6555562-B1 2-Carboxybenzoyl-(N'-3,5-dichloroisonicotinoyl)-L-4aminophenyl alanine, for example; inhibit the binding of alpha-4 integrins to their ligands, use to treat immune or inflammatory disorders CELLTECH R&D LIMITED (GB) 2003-04-29 US 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-20030166691-A1 Phenylalanine derivatives VCAM1, PAH, ITGB4 ITGB1 6/4885ITGA4 4/4885ITGA2 25/4885
US-20050215598-A1 Phenylalanine derivatives PAH, ITGB4, VCAM1 ITGB1 7/4885ITGA4 4/4885ITGA2 26/4885

“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.