SCHEMBL2432656

SCHEMBL2432656

COC(=O)C1CCC(OC(F)(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccc(F)cc34)cc2F)N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.53
ITGA4 P13612 13/20 0.53
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 1/20 0.34
HTR3A P46098 4/20 0.33
LCK P06239 1/20 0.32
CSK P41240 1/20 0.32
ZAP70 P43403 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
SCHEMBL2432653 1.00 ITGB1 (0.53) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2435328 0.95 ITGB1 (0.51) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2435326 0.95 ITGB1 (0.51) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2432691 0.94 ITGB1 (0.60) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2432696 0.94 ITGB1 (0.60) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2435804 0.93 ITGB1 (0.60) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2435807 0.93 ITGB1 (0.60) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2436343 0.89 ITGB1 (0.58) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2436345 0.89 ITGB1 (0.58) ITGB1ITGA4MEN1ALDH1A1KMT2A
SCHEMBL2436578 0.88 ITGB1 (0.49) ITGB1ITGA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
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 4/4885MEN1 1582/4885

“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.