SCHEMBL6507446

SCHEMBL6507446

CC(C)(C)C(CC(=O)O)(NC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPK8 P45983 11/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KIF18A Q8NI77 2/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 5/20 0.34
KAT6A Q92794 2/20 0.34

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
SCHEMBL382800 0.94 ITGB3 (0.36) ITGB3ITGAVITGA2BMAPK8DRD2
SCHEMBL6497838 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BKIF18A
SCHEMBL382824 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL6501614 0.85 KAT6A (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6507479 0.84 ITGB3 (0.36) ITGB3ITGAVITGA2BMAPK8DRD2
SCHEMBL383159 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383096 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499251 0.83 SFRP1 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6500444 0.82 KAT6A (0.39) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382189 0.81 ITGB3 (0.50) ITGB3ITGAVITGA2BDRD2DRD3

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ITGB3 2/4885ITGAV 1/4885ITGA2B 23/4885

“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.