SCHEMBL7039210

SCHEMBL7039210

O=C(NC[C@H](NC(=O)c1ccccc1Cl)C(=O)O)c1ccc(OCCNC2=NCCCN2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.56
ITGB3 P05106 15/20 0.56
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ITGB1 P05556 4/20 0.40
ITGA4 P13612 3/20 0.40
ITGA5 P08648 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGB6 P18564 1/20 0.40
ITGB7 P26010 2/20 0.40

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
SCHEMBL7029512 0.95 ITGAV (0.50) ITGAVITGB3NPC1RAB9AITGB1
SCHEMBL7035595 0.91 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL7037116 0.91 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL7038916 0.90 ITGB3 (0.54) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL7036086 0.90 ITGB3 (0.55) ITGAVITGB3ITGA2B
SCHEMBL7248793 0.89 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7036701 0.89 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL7031234 0.89 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7038300 0.88 ITGB3 (0.53) ITGAVITGB3ITGA2B
SCHEMBL7034252 0.88 ITGB3 (0.55) ITGAVITGB3ITGA2B

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 4 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
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 ITGAV 289/4885ITGB3 403/4885NPC1 694/4885

“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.