SCHEMBL5259091

SCHEMBL5259091

CCCC1=C(NC(Cc2ccccc2Oc2nccc3ccncc23)C(=O)O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.34
ACE P12821 3/20 0.34
CPA1 P15085 3/20 0.34
ACE2 Q9BYF1 3/20 0.34
PIP4K2A P48426 2/20 0.32
DGAT2 Q96PD7 1/20 0.31
PDE5A O76074 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
DRD1 P21728 1/20 0.30
PPARG P37231 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL5260496 0.91 MME (0.35) MMEACECPA1ACE2PIP4K2A
SCHEMBL5259088 0.86 ITGB1 (0.41) ITGB1ITGA4DRD1PPARGFFAR1
SCHEMBL5262062 0.81 MME (0.33) MMEACECPA1ACE2DGAT2
SCHEMBL5333186 0.81 PIM1 (0.34) ITGB1ITGA4PPARG
SCHEMBL5261691 0.78 DRD1 (0.36) ITGB1ITGA4KDM4CDRD1PPARG
SCHEMBL5260488 0.77 ITGB1 (0.38) ITGB1ITGA4KDM4CDRD1PPARG
SCHEMBL5261695 0.77 FFAR1 (0.36) DRD1FFAR1
SCHEMBL5262264 0.76 ITGB1 (0.38) ITGB1ITGA4PPARG
SCHEMBL5260326 0.76 ITGB1 (0.38) ITGB1ITGA4PPARG
SCHEMBL5263308 0.76 PPARG (0.33) ITGB1ITGA4DRD1PPARG

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 5 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
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US 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 MME 588/4885ACE 1634/4885CPA1 1749/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 MME 734/4885ACE 1894/4885CPA1 1810/4885

“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.