SCHEMBL5163398

SCHEMBL5163398

CC(C)O[C@]1(c2ncc(CCC(=O)O)s2)CCCN1C(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.44
ITGA4 P13612 8/20 0.44
MAOB P27338 2/20 0.32
HTR2C P28335 1/20 0.32
S1PR2 O95136 1/20 0.32
KDM1A O60341 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PARG Q86W56 1/20 0.31
AURKA O14965 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL5160838 0.95 ITGB1 (0.49) ITGB1ITGA4MAOBHTR2CS1PR2
SCHEMBL5160946 0.94 ITGB1 (0.43) ITGB1ITGA4MAOBHTR2CS1PR2
SCHEMBL5158473 0.89 ITGB1 (0.42) ITGB1ITGA4HTR2CS1PR2KDM1A
SCHEMBL5160672 0.88 PTGDR2 (0.34) ITGB1ITGA4MAOBHTR2CPTGDR2
SCHEMBL5160249 0.88 ITGB1 (0.46) ITGB1ITGA4MAOBS1PR2KDM1A
SCHEMBL5160740 0.84 ITGB1 (0.42) ITGB1ITGA4HTR2CS1PR2KDM1A
SCHEMBL5160790 0.84 ITGB1 (0.50) ITGB1ITGA4MAOBS1PR1S1PR3
SCHEMBL5161508 0.83 ITGB1 (0.45) ITGB1ITGA4MAOBHTR2CS1PR2
SCHEMBL5160727 0.82 ITGB1 (0.44) ITGB1ITGA4MAOBS1PR2KDM1A
SCHEMBL5158322 0.82 ITGB1 (0.49) ITGB1ITGA4S1PR2KDM1AS1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ITGB1 9/4885ITGA4 3/4885MAOB 2910/4885

“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.