SCHEMBL56728

SCHEMBL56728

COP(=O)(CCC(N)C(=O)O)Oc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.46
GRM8 O00222 3/20 0.46
GRM6 O15303 2/20 0.46
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
KIF11 P52732 1/20 0.38
BTN3A1 O00481 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
EGLN2 Q96KS0 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37

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
SCHEMBL57237 0.86 GRM8 (0.61) GRM4GRM8GRM6GRIK1GRIK2
SCHEMBL56895 0.85 GRM8 (0.50) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL56486 0.84 BTN3A1 (0.51) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL56602 0.84 GRM8 (0.49) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL56062 0.84 GRM4 (0.52) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL27883029 0.82 GRM8 (0.48) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL56052 0.81 GRM8 (0.47) GRM4GRM8GRM6KIF11BTN3A1
SCHEMBL56157 0.81 GRM8 (0.55) GRM4GRM8GRM6KIF11ALDH1A1
SCHEMBL56830 0.80 GRM8 (0.56) GRM4GRM8GRM6ALDH1A1
SCHEMBL56344 0.77 GRM4 (0.53) GRM4GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO claimed
CN-101336246-B Phosphonic acid diester derivative and method for producing same PING ZHURUN 2012-11-28 CN disclosed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
CN-101336246-A Phosphonic acid diester derivative and method for producing same HIRATAKE JUN (JP) 2008-12-31 CN disclosed
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 GRM4 4122/4885GRM8 4595/4885GRM6 3489/4885

“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.