SCHEMBL7032608

SCHEMBL7032608

CCCCOC(=O)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.42
ITGA2B P08514 12/20 0.42
ITGAV P06756 5/20 0.41
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7032219 0.98 ITGB3 (0.40) ITGB3ITGA2BITGAVITGB1SMN1; SMN2
SCHEMBL7038261 0.98 ITGB3 (0.40) ITGB3ITGA2BITGAVITGB1SMN1; SMN2
SCHEMBL7038923 0.96 ITGB3 (0.40) ITGB3ITGA2BITGAVEGLN2EGLN1
SCHEMBL7032427 0.93 ITGB3 (0.41) ITGB3ITGA2BITGAVEGLN2EGLN1
SCHEMBL7036629 0.90 EGLN2 (0.39) ITGB3ITGA2BITGAVEGLN2EGLN1
SCHEMBL7030553 0.90 ITGB3 (0.46) ITGB3ITGA2BITGAVEGLN2EGLN1
SCHEMBL7031372 0.90 ITGB1 (0.39) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7383429 0.89 FOLH1 (0.39) ITGB3ITGAVITGB1ITGA5
SCHEMBL7035435 0.89 ITGB3 (0.40) ITGB3ITGA2BITGAVEGLN2EGLN1
SCHEMBL7035290 0.89 ITGB3 (0.51) ITGB3ITGA2BITGAVEGLN2EGLN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US disclosed
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR ITGB3 403/4885ITGA2B 573/4885ITGAV 289/4885

“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.