SCHEMBL4845276

SCHEMBL4845276

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.42
ITGB2 P05107 9/20 0.42
ICAM1 P05362 9/20 0.42
METAP2 P50579 1/20 0.39
CNR1 P21554 1/20 0.39
HSD11B1 P28845 1/20 0.39
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
ELANE P08246 1/20 0.36

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
SCHEMBL4847423 0.91 ITGAL (0.38) ITGALITGB2ICAM1METAP2HSD11B1
SCHEMBL4848463 0.91 HSD11B1 (0.37) ITGALITGB2ICAM1METAP2HSD11B1
SCHEMBL4850402 0.90 HSD11B1 (0.36) ITGALITGB2ICAM1METAP2HSD11B1
SCHEMBL4850447 0.87 MCHR1 (0.38) ITGALITGB2ICAM1HSD11B1ELANE
SCHEMBL4839926 0.86 ITGAL (0.35) ITGALITGB2ICAM1METAP2HSD11B1
SCHEMBL14264113 0.86 TSHR (0.37) ITGALITGB2ICAM1HSD11B1TMEM97
SCHEMBL16349444 0.86 ITGAL (0.35) ITGALITGB2ICAM1HSD11B1EBP
SCHEMBL4848014 0.86 METAP2 (0.36) ITGALITGB2ICAM1METAP2CNR1
SCHEMBL4841707 0.85 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL14254855 0.85 ITGAL (0.46) ITGALITGB2ICAM1METAP2CNR1

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
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
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.