SCHEMBL5159930

SCHEMBL5159930

CC(O[C@H]1CCCN1c1ncc(CCC(=O)O)o1)C(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.53
ITGB1 P05556 13/20 0.53
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM1A O60341 1/20 0.33
ACKR3 P25106 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5176265 0.95 ITGB1 (0.47) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5414832 0.95 ITGB1 (0.51) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5176045 0.90 ITGB1 (0.45) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5158301 0.89 ITGB1 (0.50) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5159935 0.88 ITGA4 (0.52) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5158240 0.84 ITGB1 (0.48) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5163401 0.83 ITGB1 (0.44) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5176268 0.83 ITGB1 (0.49) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL5163502 0.83 ITGB1 (0.50) ITGA4ITGB1MEN1KMT2AKDM1A
SCHEMBL14608671 0.80 ITGA4 (0.61) ITGA4ITGB1MEN1KMT2AKDM1A

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 ITGA4 3/4885ITGB1 9/4885MEN1 711/4885

“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.