SCHEMBL7032224

SCHEMBL7032224

O=C(N[C@@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1O)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGA2B P08514 2/20 0.55

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
Hydrochloric Acid SCHEMBL7030520 0.99 ITGB3 (0.55) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7030518 0.99 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7038242 0.95 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7035747 0.93 ITGB3 (0.50) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7035743 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7038415 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL7031234 0.92 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7038336 0.91 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7038320 0.90 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7030613 0.90 ITGB3 (0.56) 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 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 403/4885ITGAV 289/4885ITGA2B 573/4885

“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.