SCHEMBL4892223

SCHEMBL4892223

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2cc(Cl)cn(C)c2=O)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.77
ITGB1 P05556 19/20 0.77
ITGB7 P26010 17/20 0.77
ITGA2 P17301 1/20 0.62

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
SCHEMBL6235244 0.91 ITGA4 (0.64) ITGA4ITGB1ITGB7ITGA2
SCHEMBL4894211 0.89 ITGA4 (0.66) ITGA4ITGB1ITGB7ITGA2
SCHEMBL27504312 0.89 ITGA4 (0.61) ITGA4ITGB1ITGB7
SCHEMBL27504313 0.89 ITGA4 (0.61) ITGA4ITGB1ITGB7
SCHEMBL4888574 0.87 ITGA4 (1.00) ITGA4ITGB1ITGB7ITGA2
SCHEMBL19235765 0.87 ITGA4 (1.00) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5164939 0.85 ITGA4 (0.81) ITGA4ITGB1ITGB7ITGA2
SCHEMBL4886949 0.81 ITGA4 (1.00) ITGA4ITGB1ITGB7ITGA2
SCHEMBL6234720 0.81 ITGA4 (0.56) ITGA4ITGB1ITGB7ITGA2
SCHEMBL27503231 0.80 ITGA4 (0.51) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US claimed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP claimed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US claimed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US claimed
US-20140051655-A1 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8410115-B2 Methods of treating inflammatory and autoimmune diseases with alpha-4 inhibitory compounds ELAN PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20080044382-A1 Methods of treating inflammatory and autoimmune diseases with alpha-4 inhibitory compounds BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2008-02-21 US disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 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 (4 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-20140051655-A1 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS IL4, PSMA4, SCN4A ITGA4 27/4885ITGB1 277/4885ITGB7 464/4885
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG ITGA4 8/4885ITGB1 13/4885ITGB7 99/4885
US-20080044382-A1 Methods of treating inflammatory and autoimmune diseases with alpha-4 inhibitory compounds IL4, PSMA4, SCN4A ITGA4 27/4885ITGB1 277/4885ITGB7 464/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG ITGA4 8/4885ITGB1 13/4885ITGB7 99/4885

“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.