SCHEMBL7034074

SCHEMBL7034074

O=C(NCc1ccccc1)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.43
ITGA5 P08648 6/20 0.43
NAMPT P43490 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK8 P45983 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CAPN1 P07384 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL7035393 0.92 KMT2A (0.45) ITGB1ITGA5ITGB3ITGAVEGLN1
SCHEMBL7032406 0.89 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGAVEGLN1
SCHEMBL7035290 0.88 ITGB3 (0.51) ITGB3ITGAVEGLN1
SCHEMBL7037876 0.88 ITGB3 (0.51) ITGB3ITGAVEGLN1
SCHEMBL7031372 0.87 ITGB1 (0.39) ITGB1ITGA5ITGB3ITGAV
SCHEMBL7035883 0.87 ITGB1 (0.37) ITGB1ITGA5ITGB3ITGAV
SCHEMBL7383429 0.86 FOLH1 (0.39) ITGB1ITGA5ITGB3ITGAV
SCHEMBL7039321 0.86 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7033711 0.86 ITGB3 (0.38) ITGB1ITGA5ITGB3ITGAV
SCHEMBL7039296 0.86 ITGB1 (0.41) ITGB1ITGA5ITGB3ITGAVEGLN1

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 ITGB1 306/4885ITGA5 450/4885NAMPT 566/4885

“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.