SCHEMBL5160727

SCHEMBL5160727

COC(=O)CCc1cnc([C@]2(N3CCCCC3)CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.44
ITGA4 P13612 8/20 0.44
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 1/20 0.33
MAPT P10636 2/20 0.33
POLQ O75417 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 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
SCHEMBL5161508 0.90 ITGB1 (0.45) ITGB1ITGA4TP53TDP1S1PR2
SCHEMBL5160946 0.88 ITGB1 (0.43) ITGB1ITGA4TP53TDP1S1PR2
SCHEMBL5160740 0.86 ITGB1 (0.42) ITGB1ITGA4S1PR2KDM1AALDH1A1
SCHEMBL5158994 0.84 ITGB1 (0.47) ITGB1ITGA4TP53TDP1S1PR2
SCHEMBL5160249 0.84 ITGB1 (0.46) ITGB1ITGA4TP53S1PR2KDM1A
SCHEMBL5163398 0.82 ITGB1 (0.44) ITGB1ITGA4S1PR2KDM1AMEN1
SCHEMBL5162183 0.81 ITGB1 (0.51) ITGB1ITGA4TP53TDP1S1PR2
SCHEMBL5158473 0.80 ITGB1 (0.42) ITGB1ITGA4S1PR2KDM1AMEN1
SCHEMBL14371750 0.80 ITGA4 (0.49) ITGB1ITGA4TP53TDP1S1PR2
SCHEMBL5160790 0.80 ITGB1 (0.50) ITGB1ITGA4TP53MEN1KMT2A

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 3/4885TP53 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.