SCHEMBL2433232

SCHEMBL2433232

O=C(Nc1ccc(CC(=O)C(F)(O[C@H]2CC[C@H](C(=O)O)CC2)N2CCCC2)cc1Cl)c1nsc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.62
ITGA4 P13612 9/20 0.62
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 3/20 0.38

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
SCHEMBL2435437 0.89 ITGB1 (0.63) ITGB1ITGA4POLBMAPTRXFP1
SCHEMBL2430260 0.86 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2430259 0.86 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2433541 0.85 ITGB1 (0.53) ITGB1ITGA4POLBMAPTRXFP1
SCHEMBL2437864 0.85 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL2437861 0.85 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL2434691 0.84 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL2432091 0.82 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL2432807 0.82 ITGB1 (0.65) ITGB1ITGA4POLBLMNA
SCHEMBL2432811 0.82 ITGB1 (0.65) ITGB1ITGA4POLBLMNA

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 4/4885POLB 4164/4885

“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.