SCHEMBL6501630

SCHEMBL6501630

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1cc(N2CCC(Nc3ncccn3)CC2)ccc1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.46
ITGB3 P05106 15/20 0.46
ITGA2B P08514 15/20 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
SCHEMBL6496638 0.89 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL383160 0.88 ITGAV (0.58) ITGAVITGB3ITGA2B
SCHEMBL6499264 0.88 ITGAV (0.49) ITGAVITGB3ITGA2B
SCHEMBL6497858 0.87 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL6500457 0.87 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL6507464 0.86 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL382801 0.86 ITGAV (0.46) ITGAVITGB3ITGA2B
SCHEMBL6498446 0.86 ITGAV (0.48) ITGAVITGB3ITGA2B
SCHEMBL382825 0.86 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL382622 0.82 ITGB3 (0.44) ITGAVITGB3ITGA2B

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 ITGAV 1/4885ITGB3 2/4885ITGA2B 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.