SCHEMBL6498423

SCHEMBL6498423

CC(C)(C)C(CC(=O)O)(NC(=O)c1cc(N2CCC(Nc3ncccn3)CC2)cc(C(F)(F)F)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
SFRP1 Q8N474 3/20 0.38
DDR1 Q08345 4/20 0.36
MAPK14 Q16539 2/20 0.36
LCK P06239 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
CSF1R P07333 2/20 0.35
MCOLN2 Q8IZK6 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MCOLN1 Q9GZU1 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
TEK Q02763 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
SCHEMBL6500444 0.92 KAT6A (0.39) DRD2DRD3SFRP1ITGB3ITGAV
SCHEMBL6499251 0.89 SFRP1 (0.42) DRD2DRD3SFRP1ITGB3ITGAV
SCHEMBL383159 0.88 ITGB3 (0.44) DRD2DRD3SFRP1ITGB3ITGAV
SCHEMBL6498464 0.84 DRD2 (0.39) DRD2DRD3SFRP1DDR1MAPK14
SCHEMBL382824 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BKMT2A
SCHEMBL6501614 0.84 KAT6A (0.40) DRD2DRD3SFRP1ITGB3ITGAV
SCHEMBL6497838 0.84 ITGB3 (0.42) SFRP1ITGB3ITGAVITGA2BKMT2A
SCHEMBL383096 0.83 ITGB3 (0.47) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6497223 0.82 DRD2 (0.41) DRD2DRD3SFRP1KMT2AHTR1A
SCHEMBL6499693 0.82 DRD2 (0.41) DRD2DRD3SFRP1MAPK14ITGB3

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 DRD2 796/4885DRD3 514/4885SFRP1 1075/4885

“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.