SCHEMBL6505536

SCHEMBL6505536

O=C(O)CC(NC(=O)c1ccc(F)c(N2CCC(Nc3ncccn3)CC2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGAV P06756 10/20 0.48
ITGA2B P08514 10/20 0.48
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KAT6A Q92794 1/20 0.35
EPHX2 P34913 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 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
SCHEMBL383239 0.94 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382782 0.90 ITGB3 (0.54) ITGB3ITGAVITGA2BF10HDAC8
SCHEMBL381839 0.90 ITGB3 (0.54) ITGB3ITGAVITGA2BF10HDAC8
SCHEMBL382037 0.89 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382777 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL383052 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL27551456 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382764 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6496673 0.86 KAT6A (0.42) ITGB3ITGAVITGA2BKAT6A
SCHEMBL6499964 0.86 KAT6A (0.43) ITGB3ITGAVITGA2BKAT6A

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 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.