SCHEMBL6500812

SCHEMBL6500812

Cc1cc(C)c(S(=O)(=O)NC(CC(=O)O)NC(=O)c2cccc(N3CCC(Nc4ncccn4)CC3)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 7/20 0.39
ITGB3 P05106 6/20 0.39
ITGA2B P08514 4/20 0.39
P2RY12 Q9H244 1/20 0.37
NR3C1 P04150 3/20 0.36
ALB P02768 2/20 0.36
VCP P55072 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
F10 P00742 1/20 0.35
AGTR2 P50052 1/20 0.35
RAB9A P51151 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
SCHEMBL6499026 0.90 ITGB3 (0.37) ITGAVITGB3ITGA2BNR3C1ALB
SCHEMBL6499964 0.88 KAT6A (0.43) ITGAVITGB3ITGA2BP2RY12CNR1
SCHEMBL6498525 0.86 ITGB3 (0.53) ITGAVITGB3ITGA2BITGB1
SCHEMBL6507021 0.86 ITGB3 (0.41) ITGAVITGB3ITGA2BCNR1CNR2
SCHEMBL6498611 0.85 DRD2 (0.41) ITGAVITGB3ITGA2BDRD2DRD3
SCHEMBL6500799 0.85 ITGAV (0.51) ITGAVITGB3ITGA2B
SCHEMBL6500015 0.84 DRD2 (0.40) ITGAVITGB3ITGA2BP2RY12VCP
SCHEMBL6499024 0.80 ITGAV (0.40) ITGAVITGB3ITGA2BNR3C1ITGB1
SCHEMBL7464438 0.79 DRD2 (0.42) ITGAVITGB3ITGA2BP2RY12VCP
SCHEMBL27551456 0.79 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5

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 ITGAV 1/4885ITGB3 2/4885ITGA2B 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.