SCHEMBL5259497

SCHEMBL5259497

COC(=O)CC(N)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.49
ITGA4 P13612 20/20 0.49

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
Trifluoroacetic Acid SCHEMBL6518249 0.93 ITGB1 (0.48) ITGB1ITGA4
SCHEMBL5257953 0.90 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL5801185 0.88 KMT2A (0.50) ITGB1ITGA4
SCHEMBL6514678 0.86 ITGB1 (0.55) ITGB1ITGA4
Hydrochloric Acid SCHEMBL5789365 0.85 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL6518082 0.85 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL6514203 0.78 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL4514318 0.76 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5260189 0.76 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL6512426 0.76 ITGB1 (0.53) ITGB1ITGA4

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-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 ITGB1 4/4885ITGA4 72/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 ITGB1 4/4885ITGA4 67/4885

“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.