SCHEMBL7747696

SCHEMBL7747696

C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.50
ITGA2B P08514 18/20 0.50
F2R P25116 6/20 0.50
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7463791 0.88 ITGB3 (0.48) ITGB3ITGA2BF2R
SCHEMBL7746749 0.87 ITGB3 (0.56) ITGB3ITGA2BF2R
SCHEMBL7742148 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7463787 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7463789 0.85 ITGB3 (0.49) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7839625 0.82 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL7502523 0.81 ITGB3 (0.65) ITGB3ITGA2BF2R
SCHEMBL7818399 0.81 ITGB3 (0.55) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7503248 0.81 ITGB3 (0.62) ITGB3ITGA2BF2R
SCHEMBL7508224 0.81 ITGB3 (0.72) ITGB3ITGA2BF2R

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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.