SCHEMBL6496673

SCHEMBL6496673

O=C(O)CC(NC(=O)c1cc(N2CCC(Nc3ncccn3)CC2)ccc1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 6/20 0.42
ITGB3 P05106 8/20 0.42
ITGAV P06756 8/20 0.42
ITGA2B P08514 8/20 0.42
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
MALT1 Q9UDY8 1/20 0.36
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL382764 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL27551456 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499964 0.87 KAT6A (0.43) KAT6AITGB3ITGAVITGA2BDRD2
SCHEMBL6505536 0.86 ITGB3 (0.48) KAT6AITGB3ITGAVITGA2B
SCHEMBL6499908 0.86 ITGB3 (0.41) KAT6AITGB3ITGAVITGA2BDRD2
SCHEMBL6497483 0.86 ITGB3 (0.60) KAT6AITGB3ITGAVITGA2B
SCHEMBL6496638 0.85 ITGB3 (0.57) KAT6AITGB3ITGAVITGA2B
SCHEMBL383239 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL382205 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499638 0.85 ITGB3 (0.41) KAT6AITGB3ITGAVITGA2BDRD2

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 4 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
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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 KAT6A 1672/4885ITGB3 2/4885ITGAV 1/4885

“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.