SCHEMBL5160984

SCHEMBL5160984

CCOC(C(=O)Cc1cc(Cl)c(NC(=O)c2coc3ccccc23)cc1F)N1CCC[C@H]1c1ncc(CCC(=O)OC)s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.38
ITGA4 P13612 8/20 0.38
ALDH1A1 P00352 1/20 0.32
TP53 P04637 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
ACKR3 P25106 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
SCHEMBL5410478 0.85 ITGB1 (0.39) ITGB1ITGA4ALDH1A1TP53TDP1
SCHEMBL5160230 0.84 ITGB1 (0.43) ITGB1ITGA4ALDH1A1TP53TDP1
SCHEMBL5160982 0.83 ITGA4 (0.39) ITGB1ITGA4ALDH1A1TP53TDP1
SCHEMBL5175632 0.82 ITGB1 (0.37) ITGB1ITGA4ALDH1A1TP53TDP1
SCHEMBL14371759 0.82 ITGA4 (0.39) ITGB1ITGA4ALDH1A1GPBAR1
SCHEMBL14371865 0.81 ITGA4 (0.41) ITGB1ITGA4ALDH1A1GPBAR1
SCHEMBL14371772 0.81 ITGA4 (0.40) ITGB1ITGA4GPBAR1
SCHEMBL5162198 0.80 ITGA4 (0.37) ITGB1ITGA4ALDH1A1TP53GPBAR1
SCHEMBL5414719 0.79 ITGA4 (0.40) ITGB1ITGA4TP53TDP1GPBAR1
SCHEMBL5422533 0.79 ITGB1 (0.45) ITGB1ITGA4ALDH1A1TP53TDP1

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 3/4885ALDH1A1 471/4885

“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.