SCHEMBL14217002

SCHEMBL14217002

BCCP(=O)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.58
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL15981079 0.85 PPARD (0.54) PPARDTSHRTP53TDP1
SCHEMBL13301492 0.83 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL3313657 0.83 PPARD (0.70) PPARDTSHRTP53TDP1MEN1
SCHEMBL248038 0.78 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL7268189 0.78 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL5017294 0.78 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL11514496 0.76 PPARD (0.61) PPARDTSHRTP53TDP1
SCHEMBL7268183 0.76 PPARD (0.61) PPARDTSHRTP53TDP1
SCHEMBL11323349 0.76 PPARD (0.61) PPARDTSHRTP53TDP1
SCHEMBL11127676 0.74 PPARD (0.58) PPARDTSHRTP53TDP1MEN1

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-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof WYETH (US) 2008-05-15 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-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof PHOSPHO1, ENPP1, ENO1 PPARD 805/4885TSHR 3472/4885TP53 4308/4885

“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.