SCHEMBL7038261

SCHEMBL7038261

CCCCCCCCOC(=O)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.40
ITGA2B P08514 6/20 0.40
ITGAV P06756 3/20 0.40
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK1 P53350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CNR2 P34972 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
SCHEMBL7032219 1.00 ITGB3 (0.40) ITGB3ITGA2BITGAVMAOBNPC1
SCHEMBL7032608 0.98 ITGB3 (0.42) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7038923 0.93 ITGB3 (0.40) ITGB3ITGA2BITGAVITGB1
SCHEMBL7032427 0.91 ITGB3 (0.41) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7036484 0.89 CPT2 (0.40) ITGB3ITGAVITGB1ITGA4
SCHEMBL7383429 0.89 FOLH1 (0.39) ITGB3ITGAVITGB1ITGA4
SCHEMBL7036629 0.88 EGLN2 (0.39) ITGB3ITGA2BITGAVITGB1
SCHEMBL7031372 0.88 ITGB1 (0.39) ITGB3ITGA2BITGAVITGB1ITGA4
SCHEMBL7030553 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVMAOBITGB1
SCHEMBL7035435 0.87 ITGB3 (0.40) ITGB3ITGA2BITGAVITGB1

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 573/4885ITGAV 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.