SCHEMBL5010450

SCHEMBL5010450

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(Cc3ccccc3)c(Cl)c[nH]c2=O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.61
ITGA4 P13612 18/20 0.61
ITGB7 P26010 17/20 0.61
ITGA2 P17301 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
ITGB2 P05107 1/20 0.54
ICAM1 P05362 1/20 0.54
ITGAL P20701 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
SCHEMBL7415773 0.93 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2L3MBTL1
SCHEMBL5010881 0.88 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL5009922 0.84 ITGB1 (0.69) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7424543 0.81 L3MBTL1 (0.82) ITGB1ITGA4ITGB7ITGA2L3MBTL1
SCHEMBL7417736 0.80 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7417126 0.77 ITGB1 (0.57) ITGB1ITGA4ITGB7
SCHEMBL4886949 0.76 ITGA4 (1.00) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7418253 0.75 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA2
SCHEMBL18589274 0.75 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5160282 0.75 ITGB1 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP claimed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO claimed
EP-2007392-A2 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2008-12-31 EP disclosed
WO-2007100763-A2 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 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-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG ITGB1 13/4885ITGA4 8/4885ITGB7 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.