SCHEMBL7039347

SCHEMBL7039347

N=C(N)NCCOc1ccc(C(=O)NC[C@H](NC(=O)OCc2ccc(C(F)(F)F)cc2)C(=O)O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.45
ITGB3 P05106 12/20 0.44
ITGAV P06756 3/20 0.44
ITGA2B P08514 11/20 0.42
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL7034103 0.91 ITGB3 (0.46) TGM2ITGB3ITGAVITGA2BEGLN2
SCHEMBL7034815 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7037146 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7037166 0.85 PLAU (0.43) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7031295 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7036039 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7038291 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7030722 0.84 F10 (0.40) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7035668 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL7255333 0.83 F10 (0.40) ITGB3ITGAVITGA2BEGLN2EGLN1

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 TGM2 2301/4885ITGB3 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.