SCHEMBL6131678

SCHEMBL6131678

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=C(Br)C(=O)C12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.46
ITGA4 P13612 17/20 0.46
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43

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
SCHEMBL6131676 1.00 ITGB1 (0.46) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL6532917 0.86 ITGB1 (0.49) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL6132149 0.86 ITGB1 (0.49) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL6132148 0.86 ITGB1 (0.49) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL6532346 0.83 ITGB1 (0.41) ITGB1ITGA4CYP3A4
SCHEMBL3836302 0.78 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL3833236 0.77 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL6131707 0.76 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL3834929 0.76 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL3830919 0.76 ITGB1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 ITGB1 4148/4885ITGA4 3960/4885CYP3A4 179/4885

“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.