SCHEMBL5162846

SCHEMBL5162846

O=C(O)CCc1cnc(N2CC[C@H](OC3(C(=O)Cc4cc(Cl)c(NC(=O)c5coc6ccccc56)cc4F)CCC3)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.37
ITGB1 P05556 11/20 0.37
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ACKR3 P25106 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL5160295 0.95 ITGB1 (0.33) ITGA4ITGB1TP53THRBACKR3
SCHEMBL5164526 0.89 ITGB1 (0.49) ITGA4ITGB1GPBAR1
SCHEMBL5412555 0.83 ITGB1 (0.45) ITGA4ITGB1TP53GPBAR1
SCHEMBL5160791 0.79 ITGA4 (0.40) ITGA4ITGB1TP53THRBACKR3
SCHEMBL5164677 0.78 ITGB1 (0.45) ITGA4ITGB1TP53GPBAR1
SCHEMBL5407542 0.77 ITGA4 (0.36) ITGA4ITGB1TP53THRBACKR3
SCHEMBL14371611 0.77 ITGA4 (0.42) ITGA4ITGB1
SCHEMBL5162198 0.76 ITGA4 (0.37) ITGA4ITGB1TP53THRBACKR3
SCHEMBL14371597 0.76 ITGA4 (0.48) ITGA4ITGB1
SCHEMBL5158313 0.76 ITGB1 (0.49) ITGA4ITGB1TP53THRBGPBAR1

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 9/4885TP53 1265/4885

“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.