SCHEMBL4885451

SCHEMBL4885451

O=C([C@H]1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@]2(Cc2ccc(OC(F)(F)F)cc2)C1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.38
METAP2 P50579 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM4 P08173 1/20 0.36
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DDR1 Q08345 1/20 0.34

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
SCHEMBL4847278 0.89 SCN9A (0.38) EPHX2METAP2CHRM4SCN9ASCN5A
SCHEMBL4841580 0.87 METAP2 (0.39) METAP2SCN9A
SCHEMBL4848356 0.84 METAP2 (0.37) METAP2CHRM4SCN9A
SCHEMBL4848499 0.84 SCN9A (0.42) EPHX2METAP2SCN9ASCN5A
SCHEMBL14254856 0.83 METAP2 (0.39) METAP2SCN9A
SCHEMBL4841746 0.83 METAP2 (0.39) METAP2SCN9A
SCHEMBL6489587 0.81 METAP2 (0.37) METAP2SCN9A
SCHEMBL4848621 0.80 METAP2 (0.39) EPHX2METAP2TDP1SCN9AALDH1A1
SCHEMBL6478244 0.79 KCNN3 (0.34) EPHX2METAP2
SCHEMBL4844861 0.79 METAP2 (0.39) METAP2SCN9ADDR1

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-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US claimed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP claimed
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

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 EPHX2 664/4885METAP2 1571/4885NOTUM 2344/4885

“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.