SCHEMBL5263308

SCHEMBL5263308

CCCC1=C(NC(Cc2ccc(Oc3nc(C)cc4ccncc34)cn2)C(=O)O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
EGLN1 Q9GZT9 1/20 0.31
ITGB1 P05556 3/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGA4 P13612 2/20 0.30
DRD1 P21728 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
SCHEMBL5264252 0.94 PPARG (0.33) PPARGPPARAEGLN1ITGB1ITGB3
SCHEMBL5262517 0.93 NLRP3 (0.33) PPARGPPARA
SCHEMBL5313936 0.92 EGLN1 (0.31) PPARGPPARAEGLN1DRD1
SCHEMBL5260326 0.90 ITGB1 (0.38) PPARGPPARAITGB1ITGA4
SCHEMBL5262264 0.90 ITGB1 (0.38) PPARGPPARAITGB1ITGA4
SCHEMBL5260655 0.87 NLRP3 (0.34) PPARGPPARADRD1
SCHEMBL5262851 0.86 NLRP3 (0.33)
SCHEMBL5262526 0.84 DRD1 (0.31) EGLN1DRD1
SCHEMBL5262528 0.82 EGLN1 (0.30) EGLN1
SCHEMBL5258290 0.82 ITGB1 (0.35) PPARGPPARAITGB1ITGA4

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-1906984-A2 MOLECULAR COMPLEX COMPRISING ARBUTINE, ASCORBIC ACID, OLEUROPEINA OR ITS DERIVATIVES THEREOF AND RELATED USES IN MEDICAL FIELD Med Care S.r.l. (IT) 2008-04-09 EP claimed
WO-2006137100-A2 MOLECULAR COMPLEX COMPRISING ARBUTINE, ASCORBIC ACID, OLEUROPEINA OR ITS DERIVATIVES THEREOF AND RELATED USES IN MEDICAL FIELD MED CARE S.R.L. (IT) 2006-12-28 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
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 PPARG 407/4885PPARA 623/4885EGLN1 2242/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 PPARG 474/4885PPARA 698/4885EGLN1 2049/4885

“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.