SCHEMBL2432722

SCHEMBL2432722

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc(Nc3nc4cc(F)ccc4o3)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.54
ITGA4 P13612 15/20 0.54
OPRK1 P41145 2/20 0.36
HCRTR1 O43613 1/20 0.36
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL2432887 0.93 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2436085 0.92 ITGA4 (0.53) ITGB1ITGA4OPRK1NPC1RAB9A
SCHEMBL2436082 0.92 ITGA4 (0.53) ITGB1ITGA4OPRK1NPC1RAB9A
SCHEMBL2436763 0.87 ITGB1 (0.54) ITGB1ITGA4OPRK1
SCHEMBL2432661 0.87 ITGA4 (0.45) ITGB1ITGA4OPRK1NPC1RAB9A
SCHEMBL2432515 0.86 ITGA4 (0.56) ITGB1ITGA4OPRK1
SCHEMBL2437634 0.85 ITGA4 (0.54) ITGB1ITGA4
SCHEMBL2437632 0.85 ITGA4 (0.54) ITGB1ITGA4
SCHEMBL2429415 0.85 ITGB1 (0.54) ITGB1ITGA4OPRK1HCRTR1
SCHEMBL2429414 0.85 ITGB1 (0.54) ITGB1ITGA4OPRK1HCRTR1

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885OPRK1 1110/4885

“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.