SCHEMBL6497874

SCHEMBL6497874

CC(C)(C)[C@](CNC(=O)c1ccc(F)c(N2CCC(Nc3ncccn3)CC2)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.44
ITGAV P06756 8/20 0.44
ITGA2B P08514 8/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
VDR P11473 1/20 0.35
LMNA P02545 1/20 0.35
KIF18A Q8NI77 1/20 0.34
EPHX2 P34913 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
PKM P14618 1/20 0.34
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY2R P49146 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
SCHEMBL382826 0.94 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL383098 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BEPHX2NPY2R
SCHEMBL382191 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL383161 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BATM
SCHEMBL6499277 0.87 SFRP1 (0.41) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6501648 0.87 KAT6A (0.39) ITGB3ITGAVITGA2BLMNAEPHX2
SCHEMBL6500480 0.87 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6507479 0.86 ITGB3 (0.36) ITGB3ITGAVITGA2BKIF18A
SCHEMBL382802 0.86 ITGB3 (0.37) ITGB3ITGAVITGA2BKIF18ANPY2R
SCHEMBL6498464 0.84 DRD2 (0.39) 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 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.