SCHEMBL6500003

SCHEMBL6500003

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1cccc(N2CCC(CNc3ncccn3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGA2B P08514 19/20 0.55
ITGAV P06756 13/20 0.54
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL6504467 0.89 ITGAV (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6499934 0.89 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6503828 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL6506046 0.86 ITGB3 (0.69) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6496630 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6499146 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL6498897 0.84 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL6500032 0.84 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6506996 0.83 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL6500800 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV

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 2/4885ITGA2B 23/4885ITGAV 1/4885

“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.