SCHEMBL7032247

SCHEMBL7032247

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 4/20 0.46
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ITGAV P06756 2/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 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
SCHEMBL7030930 1.00 ITGB3 (0.46) ITGB3ITGA2BLMNASMN1; SMN2ITGAV
SCHEMBL7393007 0.99 ITGB3 (0.47) ITGB3ITGA2BLMNASMN1; SMN2ITGAV
SCHEMBL7033860 0.98 ITGB3 (0.48) ITGB3ITGA2BLMNASMN1; SMN2ITGAV
SCHEMBL7036608 0.94 ITGB3 (0.43) ITGB3ITGA2BLMNASMN1; SMN2ITGAV
SCHEMBL7036103 0.93 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGA4
SCHEMBL7036473 0.93 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGA4
SCHEMBL7034232 0.92 ITGB3 (0.40) ITGB3ITGA2BLMNASMN1; SMN2ITGAV
SCHEMBL7036984 0.91 NAMPT (0.49) ITGB3ITGA2BLMNAITGAVITGB1
SCHEMBL7036714 0.91 NAMPT (0.49) ITGB3ITGA2BLMNAITGAVITGB1
SCHEMBL7036024 0.91 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGA4

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 403/4885ITGA2B 573/4885LMNA 1203/4885

“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.