SCHEMBL2433747

SCHEMBL2433747

COC(=O)[C@H]1CC[C@H](OC(F)(C(=O)Cc2ccc3nc(-c4cn(C)c5ccccc45)oc3c2F)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.54
ITGA4 P13612 16/20 0.54
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
PADI4 Q9UM07 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CREBBP Q92793 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
SCHEMBL2433748 1.00 ITGB1 (0.54) ITGB1ITGA4RIPK1RIPK3PADI4
SCHEMBL2432279 0.93 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2432278 0.93 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2432992 0.93 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL2432989 0.93 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL2433467 0.90 ITGB1 (0.53) ITGB1ITGA4RIPK1RIPK3HDAC6
SCHEMBL2433462 0.87 ITGB1 (0.52) ITGB1ITGA4RIPK1RIPK3HDAC6
SCHEMBL2433703 0.86 ITGB1 (0.48) ITGB1ITGA4RIPK1RIPK3PADI4
SCHEMBL2433705 0.86 ITGB1 (0.48) ITGB1ITGA4RIPK1RIPK3PADI4
SCHEMBL2434624 0.86 ITGB1 (0.64) ITGB1ITGA4

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 4/4885RIPK1 3399/4885

“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.