SCHEMBL7039296

SCHEMBL7039296

O=C(N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.41
ITGA5 P08648 6/20 0.41
ITGB3 P05106 9/20 0.40
ITGAV P06756 7/20 0.40
EGLN2 Q96KS0 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ITGA2B P08514 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
FAAH O00519 1/20 0.36
GPR132 Q9UNW8 1/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL7035965 0.94 MEN1 (0.44) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7038444 0.94 ITGB3 (0.39) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7036629 0.91 EGLN2 (0.39) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7037876 0.90 ITGB3 (0.51) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL7035290 0.90 ITGB3 (0.51) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL7032427 0.89 ITGB3 (0.41) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7038878 0.89 ITGB3 (0.38) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7038923 0.88 ITGB3 (0.40) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7030553 0.87 ITGB3 (0.46) ITGB1ITGA5ITGB3ITGAVEGLN2
SCHEMBL7032608 0.87 ITGB3 (0.42) ITGB1ITGA5ITGB3ITGAVEGLN2

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
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR ITGB1 306/4885ITGA5 450/4885ITGB3 403/4885

“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.