SCHEMBL2431848

SCHEMBL2431848

CN(C)C(=O)COC(OC1CCC(C(=O)O)CC1)(C(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1F)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.62
ITGA4 P13612 15/20 0.62
KDM1A O60341 1/20 0.35
ACKR3 P25106 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2434375 0.94 ITGB1 (0.55) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2437230 0.92 ITGB1 (0.64) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2437236 0.92 ITGB1 (0.64) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL7265189 0.92 ITGB1 (0.52) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2432754 0.91 ITGB1 (0.66) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2434426 0.91 ITGB1 (0.66) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2434421 0.91 ITGB1 (0.66) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2435061 0.90 ITGB1 (0.62) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2433484 0.87 ITGB1 (0.68) ITGB1ITGA4KDM1AACKR3BCHE
SCHEMBL2431891 0.87 ITGB1 (0.68) ITGB1ITGA4KDM1AACKR3BCHE

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 4/4885KDM1A 816/4885

“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.