SCHEMBL6503934

SCHEMBL6503934

CC(C)(C)CC(=O)NC(CNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.42
ITGAV P06756 9/20 0.42
ITGA2B P08514 9/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
HDAC1 Q13547 1/20 0.40
TLR2 O60603 2/20 0.39
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
PRMT5 O14744 1/20 0.37

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
SCHEMBL6499974 0.90 ITGB3 (0.43) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL6496378 0.89 ITGB3 (0.42) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL6500046 0.85 PRMT5 (0.44) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL7467070 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7464402 0.82 CNR1 (0.44) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL6499264 0.82 ITGAV (0.49) ITGB3ITGAVITGA2B
SCHEMBL6499934 0.82 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL6503968 0.81 CNR1 (0.40) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL6503936 0.80 CNR1 (0.41) CNR1CNR2HDAC1DRD2DRD3
SCHEMBL6500799 0.80 ITGAV (0.51) ITGB3ITGAVITGA2B

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.