SCHEMBL6499693

SCHEMBL6499693

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
ITGA2B P08514 5/20 0.40
SFRP1 Q8N474 2/20 0.38
EEF2K O00418 2/20 0.37
MCOLN2 Q8IZK6 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MCOLN1 Q9GZU1 1/20 0.36
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL6499908 0.91 ITGB3 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6499964 0.88 KAT6A (0.43) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382764 0.87 ITGB3 (0.51) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL27551456 0.87 ITGB3 (0.51) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6495965 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2BSFRP1
SCHEMBL6499665 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL6496673 0.83 KAT6A (0.42) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6507021 0.83 ITGB3 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6505536 0.83 ITGB3 (0.48) ITGB3ITGAVITGA2BKMT2A
SCHEMBL383239 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2BKMT2A

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 4 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
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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 514/4885ITGB3 2/4885

“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.