SCHEMBL5259088

SCHEMBL5259088

CCCC1=C(N[C@@H](Cc2ccc(Oc3nccc4ccncc34)cc2)C(=O)O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.41
ITGA4 P13612 11/20 0.41
PPARG P37231 7/20 0.36
DRD1 P21728 1/20 0.35
ITGB7 P26010 2/20 0.35
PPARA Q07869 1/20 0.34
FFAR1 O14842 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
SCHEMBL5261691 0.92 DRD1 (0.36) ITGB1ITGA4PPARGDRD1ITGB7
SCHEMBL5260488 0.91 ITGB1 (0.38) ITGB1ITGA4PPARGDRD1ITGB7
SCHEMBL5262264 0.90 ITGB1 (0.38) ITGB1ITGA4PPARGPPARA
SCHEMBL5260326 0.90 ITGB1 (0.38) ITGB1ITGA4PPARGPPARA
SCHEMBL5259091 0.86 MME (0.34) ITGB1ITGA4PPARGDRD1FFAR1
SCHEMBL5261695 0.84 FFAR1 (0.36) DRD1FFAR1
SCHEMBL5263308 0.81 PPARG (0.33) ITGB1ITGA4PPARGDRD1PPARA
SCHEMBL5333196 0.81 ITGB1 (0.36) ITGB1ITGA4
SCHEMBL5261699 0.81 FFAR1 (0.35) DRD1FFAR1
SCHEMBL5261700 0.81 FFAR1 (0.35) DRD1FFAR1

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 ITGB1 4/4885ITGA4 72/4885PPARG 407/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 ITGB1 4/4885ITGA4 67/4885PPARG 474/4885

“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.