SCHEMBL5260488

SCHEMBL5260488

CC(C)CC1=C(N[C@@H](Cc2ccc(Oc3nccc4ccncc34)cc2)C(=O)O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.38
ITGA4 P13612 11/20 0.38
DRD1 P21728 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PPARG P37231 6/20 0.35
FFAR1 O14842 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL5259088 0.91 ITGB1 (0.41) ITGB1ITGA4DRD1PPARGFFAR1
SCHEMBL5258290 0.90 ITGB1 (0.35) ITGB1ITGA4KDM4CPPARG
SCHEMBL5260496 0.86 MME (0.35) DRD1KDM4CFFAR1
SCHEMBL6537276 0.84 NPR3 (0.37) ITGB1ITGA4
SCHEMBL5261691 0.83 DRD1 (0.36) ITGB1ITGA4DRD1KDM4CPPARG
SCHEMBL5262060 0.83 ITGB1 (0.37) ITGB1ITGA4KDM4CPPARGITGB7
SCHEMBL5335132 0.82 ELANE (0.34) KDM4C
SCHEMBL5313936 0.81 EGLN1 (0.31) DRD1PPARG
SCHEMBL5260326 0.81 ITGB1 (0.38) ITGB1ITGA4PPARG
SCHEMBL5262264 0.81 ITGB1 (0.38) ITGB1ITGA4PPARG

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 13 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 claimed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US claimed
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 claimed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP claimed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US claimed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 WO claimed
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 72/4885DRD1 865/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 ITGB1 4/4885ITGA4 67/4885DRD1 816/4885

“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.