SCHEMBL5394684

SCHEMBL5394684

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCCCC2NC2=NCCCN2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGA2B P08514 19/20 0.78
ITGAV P06756 16/20 0.78
ITGB1 P05556 1/20 0.47
ITGB5 P18084 1/20 0.47

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
SCHEMBL7469959 0.94 ITGB3 (0.78) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7467243 0.92 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7465379 0.92 ITGB3 (0.79) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7052828 0.89 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7465504 0.88 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6497886 0.88 ITGB3 (0.66) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7461955 0.88 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL382753 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL30856557 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7457802 0.87 ITGB3 (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL ITGB3 1/4885ITGA2B 12/4885ITGAV 11/4885

“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.