SCHEMBL6966519

SCHEMBL6966519

COc1cc(CC(=O)C(F)(Oc2ccccc2C(=O)O)N2CCCC2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 13/20 0.49
ITGB1 P05556 7/20 0.49
IDO1 P14902 3/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
GRIK1 P39086 1/20 0.39

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
SCHEMBL6208854 0.88 ITGA4 (0.57) ITGA4ITGB1
SCHEMBL5151939 0.85 ITGA4 (0.50) ITGA4ITGB1MEN1MAPTKMT2A
SCHEMBL6210735 0.83 ITGA4 (0.50) ITGA4ITGB1MEN1LMNAMAPT
SCHEMBL5153516 0.80 ITGA4 (0.48) ITGA4ITGB1MEN1LMNAMAPT
SCHEMBL5152799 0.80 ITGA4 (0.43) ITGA4ITGB1MEN1LMNAMAPT
SCHEMBL5152442 0.80 ITGA4 (0.57) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL6210969 0.79 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL5151727 0.79 ITGA4 (0.51) ITGA4ITGB1MEN1LMNAMAPT
SCHEMBL6212266 0.79 ITGA4 (0.58) ITGA4ITGB1LMNAMAPTKMT2A
SCHEMBL6543595 0.79 ITGA4 (0.56) ITGA4ITGB1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ITGA4 3/4885ITGB1 7/4885IDO1 1066/4885

“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.