SCHEMBL4845075

SCHEMBL4845075

O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]2(Cc3ccccc3)C[C@@H](O)CN12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.44
ITGB2 P05107 6/20 0.44
ICAM1 P05362 6/20 0.44
METAP2 P50579 3/20 0.36
ELANE P08246 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN2B Q13224 2/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL14254854 1.00 ITGAL (0.44) ITGALITGB2ICAM1METAP2ELANE
SCHEMBL4847894 0.89 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4840120 0.89 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4849061 0.89 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4856989 0.86 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL8358373 0.86 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4841746 0.84 METAP2 (0.39) ITGALITGB2ICAM1METAP2GRIN2B
SCHEMBL14254856 0.84 METAP2 (0.39) ITGALITGB2ICAM1METAP2GRIN2B
SCHEMBL4849098 0.79 ITGAL (0.48) ITGALITGB2ICAM1MEN1KMT2A
SCHEMBL14254718 0.79 ITGAL (0.48) ITGALITGB2ICAM1MEN1KMT2A

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.