SCHEMBL6497838

SCHEMBL6497838

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGAV P06756 8/20 0.42
ITGA2B P08514 8/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KIF18A Q8NI77 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BRD4 O60885 1/20 0.34
SCN9A Q15858 1/20 0.34
NPY2R P49146 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SFRP1 Q8N474 1/20 0.33
LMNA P02545 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
SCHEMBL382824 0.94 ITGB3 (0.48) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL383096 0.90 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2ANPY2R
SCHEMBL382189 0.88 ITGB3 (0.50) ITGB3ITGAVITGA2BPKMNPY2R
SCHEMBL383159 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6499251 0.87 SFRP1 (0.42) ITGB3ITGAVITGA2BATMBRD4
SCHEMBL6501614 0.86 KAT6A (0.40) ITGB3ITGAVITGA2BALDH1A1SFRP1
SCHEMBL6500444 0.86 KAT6A (0.39) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6507446 0.85 ITGB3 (0.35) ITGB3ITGAVITGA2BKIF18A
SCHEMBL382800 0.85 ITGB3 (0.36) ITGB3ITGAVITGA2BKIF18ANPY2R
SCHEMBL6497874 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BMEN1KMT2A

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.