SCHEMBL5161126

SCHEMBL5161126

COC(=O)CCc1cnc(N2CC[C@H](OC(C)C(=O)Cc3cc(Cl)c(NC(=O)c4cn(C)c5ccccc45)cc3Cl)C2)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.45
ITGA4 P13612 8/20 0.45
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR2 O95136 1/20 0.34
TP53 P04637 2/20 0.33
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GPR6 P46095 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
SCHEMBL5158245 0.95 ITGB1 (0.47) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5163411 0.95 ITGB1 (0.46) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5158313 0.89 ITGB1 (0.49) ITGB1ITGA4MEN1KMT2ATP53
SCHEMBL5161118 0.88 ITGB1 (0.43) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5176049 0.88 ITGB1 (0.48) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5164677 0.87 ITGB1 (0.45) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5160221 0.85 ITGB1 (0.45) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5163502 0.83 ITGB1 (0.50) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5158240 0.83 ITGB1 (0.48) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL5163401 0.83 ITGB1 (0.44) ITGB1ITGA4ALDH1A1MEN1KMT2A

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.