SCHEMBL4847845

SCHEMBL4847845

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.46
ITGB2 P05107 15/20 0.46
ICAM1 P05362 15/20 0.46
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 1/20 0.38
ROCK2 O75116 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4845438 0.87 ITGAL (0.51) ITGALITGB2ICAM1
SCHEMBL4845942 0.86 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL4839570 0.84 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL4845550 0.81 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL4847621 0.80 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL4845044 0.79 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL4840154 0.78 ITGAL (0.51) ITGALITGB2ICAM1
SCHEMBL4849259 0.76 ITGAL (0.39) ITGALITGB2ICAM1
SCHEMBL4841707 0.75 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL4847241 0.74 ITGAL (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 ITGAL 6/4885ITGB2 1/4885ICAM1 10/4885

“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.