SCHEMBL7033898

SCHEMBL7033898

C=CCOC(=O)N[C@@H](CNC(=O)c1ccc(OCCNC(=N)N)cc1O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.41
ITGB3 P05106 4/20 0.40
ITGAV P06756 3/20 0.40
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
ITGA2B P08514 2/20 0.37
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7035744 0.94 ITGB3 (0.42) CASP1ITGB3ITGAVF10F2
SCHEMBL7037166 0.89 PLAU (0.43) ITGB3ITGAVF10F2PLAU
SCHEMBL7038291 0.88 ITGB3 (0.41) ITGB3ITGAVF10F2PLAU
SCHEMBL7030722 0.87 F10 (0.40) ITGB3ITGAVF10F2PLAU
SCHEMBL7035668 0.87 ITGB3 (0.43) ITGB3ITGAVF10F2PLAU
SCHEMBL7034815 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7039155 0.87 F10 (0.43) ITGB3ITGAVF10F2PLAU
SCHEMBL7251419 0.86 MEN1 (0.42) ITGB3ITGAVF10F2PLAU
SCHEMBL7255333 0.86 F10 (0.40) ITGB3ITGAVF10F2PLAU
SCHEMBL7036039 0.86 ITGB3 (0.40) ITGB3ITGAVF10F2PLAU

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 CASP1 2721/4885ITGB3 403/4885ITGAV 289/4885

“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.