SCHEMBL807914

SCHEMBL807914

COPOP(=O)(C/C=C\Cn1cc(Br)c(=O)[nH]c1=O)OPOC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK5 Q16478 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TK2 O00142 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL807913 1.00 TK1 (0.37) TK1ALDH1A1GRIA1GRIA2GRIA4
SCHEMBL808083 0.87 TK1 (0.51) TK1TK2
SCHEMBL808082 0.87 TK1 (0.51) TK1TK2
SCHEMBL9892708 0.86 TK1 (0.37) TK1GRIA1GRIA2GRIA4GRIK5
SCHEMBL9892709 0.86 TK1 (0.37) TK1GRIA1GRIA2GRIA4GRIK5
SCHEMBL9892722 0.86 LMNA (0.38) TK1GRIA1GRIA2GRIA4GRIK5
SCHEMBL9892723 0.86 LMNA (0.38) TK1GRIA1GRIA2GRIA4GRIK5
SCHEMBL9891089 0.80 TK1 (0.38) TK1ALDH1A1GRIA1GRIA2GRIA4
SCHEMBL9891090 0.80 TK1 (0.38) TK1ALDH1A1GRIA1GRIA2GRIA4
SCHEMBL807971 0.78 DUT (0.44) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 US disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
EP-2270021-A1 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability Centre National de la Recherche Scientifique (FR) 2011-01-05 EP disclosed
WO-2010146127-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-23 WO 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-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY PNP, PHPT1, TYMP TK1 75/4885ALDH1A1 3189/4885GRIA1 3940/4885

“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.