Sugi Predict

Sugi Predict / Compounds / SCHEMBL5163338

SCHEMBL5163338

SCHEMBL5163338

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 1.00
▸ ITGA4 P13612 20/20 1.00
▸ ITGB7 P26010 20/20 1.00

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
SCHEMBL5160206 0.95 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5177314 0.92 ITGB1 (0.85) ITGB1ITGA4ITGB7
SCHEMBL27495489 0.89 ITGA4 (0.86) ITGB1ITGA4ITGB7
SCHEMBL27495490 0.89 ITGA4 (0.86) ITGB1ITGA4ITGB7
SCHEMBL5160282 0.89 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL18589274 0.89 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL6237580 0.86 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5162586 0.86 ITGB1 (0.84) ITGB1ITGA4ITGB7
SCHEMBL6234797 0.86 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5164089 0.84 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 — — EP claimed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 — — EP claimed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 — — US claimed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 — — WO claimed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 — — EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 — — EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 — — US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 — — WO disclosed