SCHEMBL2434646

SCHEMBL2434646

Cc1ccc2nc(Nc3ccc(CC(=O)C(F)(O[C@H]4CC[C@H](C(=O)O)CC4)N4CCCC4)cc3Cl)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.62
ITGA4 P13612 12/20 0.62
CSNK1D P48730 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 2/20 0.37
RIPK3 Q9Y572 2/20 0.37

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
SCHEMBL2434649 1.00 ITGB1 (0.62) ITGB1ITGA4CSNK1DL3MBTL1TP53
SCHEMBL2433608 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DL3MBTL1SMN1; SMN2
SCHEMBL2433605 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DL3MBTL1SMN1; SMN2
SCHEMBL2437593 0.94 ITGB1 (0.61) ITGB1ITGA4CSNK1DSMN1; SMN2RIPK1
SCHEMBL2437591 0.94 ITGB1 (0.61) ITGB1ITGA4CSNK1DSMN1; SMN2RIPK1
SCHEMBL2430244 0.93 ITGB1 (0.62) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2430247 0.93 ITGB1 (0.62) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2429216 0.91 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL2429220 0.91 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5362146 0.89 ITGB1 (0.62) ITGB1ITGA4RIPK1RIPK3

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 4/4885CSNK1D 1461/4885

“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.