SCHEMBL5358147

SCHEMBL5358147

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)C(F)(O[C@H]3CC[C@H](C(=O)O)CC3)N3CCCC3)cc2F)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.59
ITGA4 P13612 13/20 0.59
ACKR3 P25106 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM1A O60341 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37

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
SCHEMBL2433487 0.94 ITGB1 (0.68) ITGB1ITGA4ACKR3BCHEACHE
SCHEMBL2433484 0.94 ITGB1 (0.68) ITGB1ITGA4ACKR3BCHEACHE
SCHEMBL5364196 0.90 ITGB1 (0.52) ITGB1ITGA4ACKR3BCHEACHE
SCHEMBL2432400 0.90 ITGB1 (0.52) ITGB1ITGA4ACKR3BCHEACHE
SCHEMBL2434294 0.88 ITGB1 (0.62) ITGB1ITGA4ACKR3BCHEACHE
SCHEMBL2435804 0.88 ITGB1 (0.60) ITGB1ITGA4ACKR3KDM1A
SCHEMBL2435807 0.88 ITGB1 (0.60) ITGB1ITGA4ACKR3KDM1A
SCHEMBL2432691 0.86 ITGB1 (0.60) ITGB1ITGA4RIPK1
SCHEMBL2436345 0.86 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL2432696 0.86 ITGB1 (0.60) ITGB1ITGA4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885ACKR3 460/4885

“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.