SCHEMBL6497223

SCHEMBL6497223

COc1ccc(S(=O)(=O)NC(CC(=O)O)(NC(=O)c2cccc(N3CCC(Nc4ncccn4)CC3)c2)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
SFRP1 Q8N474 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR7 P34969 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL6499251 0.93 SFRP1 (0.42) DRD2DRD3ALDH1A1MAPTTDP1
SCHEMBL6497211 0.85 DRD2 (0.41) DRD2DRD3ALDH1A1MAPTHTT
SCHEMBL383159 0.84 ITGB3 (0.44) DRD2DRD3MAPTTDP1MEN1
SCHEMBL383666 0.83 ITGB3 (0.46) DRD2DRD3ALDH1A1HTTMAPK1
SCHEMBL382189 0.83 ITGB3 (0.50) DRD2DRD3ALDH1A1HTTGAA
SCHEMBL6500444 0.83 KAT6A (0.39) DRD2DRD3MEN1KMT2ASFRP1
SCHEMBL6503950 0.83 DRD2 (0.40) DRD2DRD3
SCHEMBL6498611 0.82 DRD2 (0.41) DRD2DRD3ALDH1A1MAPTHTT
SCHEMBL6498423 0.82 DRD2 (0.40) DRD2DRD3KMT2ASFRP1HTR7
SCHEMBL6504451 0.82 KAT6A (0.42) MAPTTDP1LMNASFRP1RAB9A

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 514/4885ALDH1A1 1967/4885

“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.