SCHEMBL6500429

SCHEMBL6500429

CC(C)(C)N(OC(=O)CCNC(=O)c1cc(F)cc(N2CCC(Nc3ncccn3)CC2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
ITGA2B P08514 2/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
KAT6A Q92794 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
PRKAA2 P54646 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMO Q99835 1/20 0.34
DDR1 Q08345 2/20 0.33
RORC P51449 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL6498409 0.92 DRD2 (0.38) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499244 0.91 CNR1 (0.38) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383158 0.91 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6501603 0.88 RORC (0.37) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6497814 0.87 ITGB3 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382456 0.87 ITGB3 (0.47) ITGB3ITGAVITGA2BHTR1A
SCHEMBL383252 0.86 CASR (0.42) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL383350 0.86 CASR (0.42) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL383095 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382188 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3

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.