SCHEMBL7029604

SCHEMBL7029604

COc1ccccc1NC(=O)N[C@@H](CNC(=O)c1ccc(OCCNC2=NCCN2)cc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.47
ITGAV P06756 17/20 0.47
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
WDR5 P61964 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
SCHEMBL7036029 0.96 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1ALOX15
SCHEMBL7032795 0.90 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7038297 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7030523 0.88 ALDH1A1 (0.43) ALDH1A1ALOX15MEN1POLBKMT2A
SCHEMBL7032934 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7038916 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7036049 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7037246 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7029571 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BWDR5
SCHEMBL7036086 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A

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 2 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

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.