SCHEMBL6499250

SCHEMBL6499250

CC(C)(C)C(CC(=O)O)(NC(=O)OCc1ccccc1)NC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.40
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
PRMT5 O14744 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN9A Q15858 2/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC1 Q13547 1/20 0.36
SYK P43405 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL381719 0.91 SYK (0.40) ITGB3ITGAVDRD2DRD3PRMT5
SCHEMBL382400 0.87 ITGB3 (0.38) ITGB3ITGAVPRMT5GRIN2BMAPT
SCHEMBL6503950 0.87 DRD2 (0.40) VCPDRD2DRD3SCN9AHDAC1
SCHEMBL383136 0.87 DRD2 (0.41) ITGB3ITGAVDRD2DRD3PRMT5
SCHEMBL6499269 0.85 VCP (0.40) VCPITGB3ITGAVDRD2DRD3
SCHEMBL6499251 0.83 SFRP1 (0.42) ITGB3ITGAVDRD2DRD3MAPT
SCHEMBL382988 0.82 PRMT5 (0.38) ITGB3ITGAVDRD2DRD3PRMT5
SCHEMBL6496356 0.81 HDAC1 (0.41) VCPDRD2DRD3SCN9AHDAC1
SCHEMBL7467089 0.80 ITGB3 (0.43) VCPITGB3ITGAVDRD2DRD3
SCHEMBL6497223 0.79 DRD2 (0.41) DRD2DRD3MAPTKDM4EALDH1A1

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 VCP 3923/4885ITGB3 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.