SCHEMBL4856989

SCHEMBL4856989

N#Cc1ccc(C[C@@]23C[C@@H](O)CN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.44
ITGB2 P05107 10/20 0.44
ICAM1 P05362 10/20 0.44

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
SCHEMBL8358373 1.00 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4850591 0.91 ITGAL (0.37) ITGALITGB2ICAM1
SCHEMBL14040877 0.89 IDH1 (0.37) ITGALITGB2ICAM1
SCHEMBL14040721 0.88 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL14040688 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL8354466 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4864222 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4840120 0.86 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4849061 0.86 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4847894 0.86 ITGAL (0.52) ITGALITGB2ICAM1

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-1472257-B1 INHIBITORS OF ALPHA L BETA 2 INTEGRIN MEDIATED CELL ADHESION MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-22 EP disclosed
US-7375128-B2 Inhibitors of α1 β2 integrin mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed
US-7375128-B2 Inhibitors of α1 β2 integrin mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed
US-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050171174-A1 Inhibitors of alpha l beta 2 integrin mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-08-04 US disclosed
WO-2003066636-A1 INHIBITORS OF ALPHA L BETA 2 INTEGRIN MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-08-14 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 (1 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-20050171174-A1 Inhibitors of alpha l beta 2 integrin mediated cell adhesion ITGB1, ITGB2, ITGA2 ITGAL 5/4885ITGB2 2/4885ICAM1 15/4885

“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.