SCHEMBL6500480

SCHEMBL6500480

CC(C)(C)[C@](CNC(=O)c1cc(F)cc(N2CCC(Nc3ncccn3)CC2)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
ITGA2B P08514 5/20 0.38
KAT6A Q92794 7/20 0.38
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
SFRP1 Q8N474 2/20 0.35
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL6498464 0.92 DRD2 (0.39) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499277 0.90 SFRP1 (0.41) ITGB3ITGAVITGA2BKAT6ADRD2
SCHEMBL383161 0.89 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6501648 0.87 KAT6A (0.39) ITGB3ITGAVITGA2BKAT6ADRD2
SCHEMBL6497874 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL382826 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL6500444 0.84 KAT6A (0.39) ITGB3ITGAVITGA2BKAT6ADRD2
SCHEMBL383098 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL6497211 0.83 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6507479 0.83 ITGB3 (0.36) ITGB3ITGAVITGA2BKAT6ADRD2

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.