SCHEMBL6237501

SCHEMBL6237501

CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)C(=O)OC

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.85
ITGB1 P05556 19/20 0.85
ITGB7 P26010 19/20 0.85

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
SCHEMBL6234779 0.92 ITGB1 (1.00) ITGA4ITGB1ITGB7
SCHEMBL6234609 0.90 ITGB1 (0.85) ITGA4ITGB1ITGB7
SCHEMBL6233757 0.88 ITGB1 (0.84) ITGA4ITGB1ITGB7
SCHEMBL4890416 0.86 ITGB1 (0.84) ITGA4ITGB1ITGB7
SCHEMBL7415184 0.86 ITGB1 (0.89) ITGA4ITGB1ITGB7
SCHEMBL6256532 0.86 ITGB1 (0.69) ITGA4ITGB1ITGB7
SCHEMBL27522581 0.84 ITGB1 (0.82) ITGA4ITGB1ITGB7
SCHEMBL4886958 0.84 ITGB1 (0.82) ITGA4ITGB1ITGB7
SCHEMBL27502898 0.84 ITGA4 (0.85) ITGA4ITGB1ITGB7
SCHEMBL27502899 0.84 ITGA4 (0.85) 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 7 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 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
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
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 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 (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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG ITGA4 8/4885ITGB1 13/4885ITGB7 99/4885
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.