SCHEMBL5149540

SCHEMBL5149540

COc1cc(C[C@H](NC2=C(SC(C)C)C(=O)C23CCOCC3)C(=O)O)cc(OC)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.46
ITGA4 P13612 20/20 0.46
ITGB7 P26010 14/20 0.46

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
SCHEMBL2985006 0.86 ITGB1 (0.43) ITGB1ITGA4ITGB7
SCHEMBL2985009 0.84 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL2986983 0.81 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL3830567 0.79 ELANE (0.37) ITGB1ITGA4ITGB7
SCHEMBL2977847 0.78 ITGB1 (0.51) ITGB1ITGA4ITGB7
SCHEMBL3837027 0.75 ITGA4 (0.45) ITGB1ITGA4ITGB7
SCHEMBL3836888 0.72 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL2978524 0.71 ITGA4 (0.49) ITGB1ITGA4ITGB7
SCHEMBL3830570 0.71 ITGB1 (0.34) ITGB1ITGA4ITGB7
SCHEMBL3835537 0.70 FPR2 (0.49) ITGB1ITGA4ITGB7

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-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 US claimed

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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 ITGB1 77/4885ITGA4 462/4885ITGB7 249/4885

“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.