SCHEMBL6498409

SCHEMBL6498409

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
DDR1 Q08345 7/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
MCHR1 Q99705 4/20 0.35
SFRP1 Q8N474 2/20 0.35
MAPK14 Q16539 1/20 0.35
ADRA2A P08913 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
VDR P11473 1/20 0.34
KMT2A Q03164 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
SCHEMBL6500429 0.92 ITGB3 (0.36) DRD2DRD3DDR1ITGB3ITGAV
SCHEMBL6499244 0.90 CNR1 (0.38) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383158 0.90 ITGB3 (0.44) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6501603 0.87 RORC (0.37) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383252 0.86 CASR (0.42) ITGB3ITGAVITGA2BMCHR1
SCHEMBL383350 0.86 CASR (0.42) ITGB3ITGAVITGA2BMCHR1
SCHEMBL7469399 0.86 SFRP1 (0.40) DRD2DRD3DDR1ITGB3ITGAV
SCHEMBL382456 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BMCHR1ADRA2A
SCHEMBL6497814 0.85 ITGB3 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383095 0.84 ITGB3 (0.46) DRD2DRD3ITGB3ITGAVITGA2B

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 514/4885DDR1 656/4885

“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.