SCHEMBL5160249

SCHEMBL5160249

Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CCC[C@]3(F)c3ncc(CCC(=O)O)s3)cc2Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.46
ITGA4 P13612 8/20 0.46
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
PARG Q86W56 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
S1PR2 O95136 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5160790 0.96 ITGB1 (0.50) ITGB1ITGA4S1PR1S1PR3MEN1
SCHEMBL5161508 0.94 ITGB1 (0.45) ITGB1ITGA4MEN1KMT2AMAOB
SCHEMBL5163398 0.88 ITGB1 (0.44) ITGB1ITGA4S1PR1S1PR3MEN1
SCHEMBL5160549 0.87 FFAR2 (0.35) ITGB1ITGA4TP53THRB
SCHEMBL5158473 0.86 ITGB1 (0.42) ITGB1ITGA4S1PR1S1PR3MEN1
SCHEMBL5158322 0.85 ITGB1 (0.49) ITGB1ITGA4S1PR1S1PR3TP53
SCHEMBL5160838 0.85 ITGB1 (0.49) ITGB1ITGA4S1PR1S1PR3MAOB
SCHEMBL5160727 0.84 ITGB1 (0.44) ITGB1ITGA4MEN1KMT2AMAOB
SCHEMBL5407542 0.83 ITGA4 (0.36) ITGB1ITGA4MAOBTP53THRB
SCHEMBL5160616 0.83 ITGB1 (0.36) ITGB1ITGA4TP53THRB

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 3/4885S1PR1 324/4885

“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.