SCHEMBL5262154

SCHEMBL5262154

CCC1=C(N[C@@H](Cc2ccc(Nc3nc(CC)cc4ccccc34)cc2)C(=O)O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.37
ITGB1 P05556 6/20 0.35
ITGA4 P13612 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PPARG P37231 2/20 0.33
NPY5R Q15761 2/20 0.32
PTGDR Q13258 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL5262861 0.91 ELANE (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL7714171 0.80 ITGB1 (0.54) NPR3ITGB1ITGA4
SCHEMBL5262867 0.80 PDE4B (0.32) MEN1KMT2AALDH1A1PDE4BSMN1; SMN2
SCHEMBL7715506 0.79 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7715504 0.79 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7715509 0.79 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7714179 0.79 ITGB1 (0.49) NPR3ITGB1ITGA4
SCHEMBL7714210 0.78 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7714207 0.78 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718422 0.77 SLC7A5 (0.45) MEN1KMT2AALDH1A1PDE4BSMN1; SMN2

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 NPR3 893/4885ITGB1 4/4885ITGA4 72/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 NPR3 992/4885ITGB1 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.