SCHEMBL7036039

SCHEMBL7036039

N=C(N)NCCOc1ccc(C(=O)NC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 4/20 0.40
ITGA2B P08514 8/20 0.35
F10 P00742 3/20 0.35
EGLN2 Q96KS0 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7031295 0.91 ITGB3 (0.40) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7037166 0.89 PLAU (0.43) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7038291 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7030722 0.87 F10 (0.40) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7035668 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BF10F2
SCHEMBL7034815 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7251419 0.86 MEN1 (0.42) ITGB3ITGAVITGA2BF10F2
SCHEMBL7255333 0.86 F10 (0.40) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7033898 0.86 CASP1 (0.41) ITGB3ITGAVITGA2BF10EGLN2
SCHEMBL7032519 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BF10EGLN2

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 1 patent. 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 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.