SCHEMBL7032833

SCHEMBL7032833

CC(C)COC(=O)N[C@@H](CNC(=O)c1ccc(OCCNC(=O)NCc2ccncc2)cc1O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.39
ITGAV P06756 6/20 0.39
NAMPT P43490 5/20 0.39
ITGA2B P08514 4/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL7029576 0.93 ITGB3 (0.44) ITGB3ITGAVNAMPTITGA2BCTSS
SCHEMBL7034232 0.92 ITGB3 (0.40) ITGB3ITGAVNAMPTITGA2BLMNA
SCHEMBL7036608 0.91 ITGB3 (0.43) ITGB3ITGAVNAMPTITGA2BCTSL
SCHEMBL7038294 0.91 NAMPT (0.41) ITGB3ITGAVNAMPTITGA2BLMNA
SCHEMBL7030829 0.91 NAMPT (0.51) ITGB3ITGAVNAMPTITGA2BLMNA
SCHEMBL7033860 0.91 ITGB3 (0.48) ITGB3ITGAVNAMPTITGA2BCTSL
SCHEMBL7037009 0.91 NAMPT (0.40) ITGB3ITGAVNAMPTITGA2BCTSK
SCHEMBL7035656 0.90 NAMPT (0.38) ITGB3ITGAVNAMPTITGA2BCTSL
SCHEMBL7032579 0.90 ITGB3 (0.49) ITGB3ITGAVNAMPTITGA2BCTSL
SCHEMBL7393007 0.89 ITGB3 (0.47) ITGB3ITGAVNAMPTITGA2BCTSK

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 ITGB3 403/4885ITGAV 289/4885NAMPT 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.