SCHEMBL16788856

SCHEMBL16788856

[N-]=[N+]=NC(Cc1ccc(S(=O)(=O)[N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB2 P49721 15/20 0.35
▸ PSMB5 P28074 14/20 0.35
▸ PSMB10 P40306 6/20 0.35
▸ PSMB8 P28062 5/20 0.35
▸ PSMB1 P20618 3/20 0.34
▸ CA2 P00918 2/20 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
SCHEMBL14270308 0.84 CA2 (0.46) CA2CA9
SCHEMBL16092972 0.84 CA2 (0.46) CA2CA9
SCHEMBL30151424 0.83 EPHX1 (0.40) PSMB2PSMB5PSMB10PSMB8PSMB1
SCHEMBL16788844 0.83 ALDH1A1 (0.45) —
SCHEMBL16092976 0.83 ALDH1A1 (0.45) —
SCHEMBL30151353 0.72 NOS3 (0.39) PSMB2PSMB5PSMB10PSMB8PSMB1
SCHEMBL16092975 0.70 CYP2C19 (0.44) CA2
SCHEMBL16788843 0.70 CYP2C19 (0.44) CA2
SCHEMBL14270257 0.69 LMNA (0.45) —
SCHEMBL16092968 0.67 GAA (0.43) —

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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 PSMB2 4741/4885PSMB5 4611/4885PSMB10 4637/4885

“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.

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