SCHEMBL6501614

SCHEMBL6501614

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.40
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35
ITGA2B P08514 3/20 0.35
RORC P51449 2/20 0.35
SFRP1 Q8N474 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MALT1 Q9UDY8 1/20 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
SCHEMBL383159 0.87 ITGB3 (0.44) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6499251 0.87 SFRP1 (0.42) KAT6ADRD2DRD3ITGB3ITGAV
SCHEMBL6497838 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2BSFRP1ALDH1A1
SCHEMBL6500444 0.86 KAT6A (0.39) KAT6ADRD2DRD3ITGB3ITGAV
SCHEMBL6507446 0.85 ITGB3 (0.35) KAT6ADRD2DRD3ITGB3ITGAV
SCHEMBL382800 0.85 ITGB3 (0.36) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382824 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6501648 0.84 KAT6A (0.39) KAT6ADRD2DRD3ITGB3ITGAV
SCHEMBL6498423 0.84 DRD2 (0.40) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382621 0.82 DRD2 (0.40) DRD2DRD3ITGB3ITGAVITGA2B

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 KAT6A 1672/4885DRD2 796/4885DRD3 514/4885

“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.