SCHEMBL56830

SCHEMBL56830

COP(=O)(CCC(N)C(=O)O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 15/20 0.56
GRM4 Q14833 15/20 0.56
GRM6 O15303 8/20 0.56
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL56510 0.86 GRM8 (0.60) GRM8GRM4GRM6
SCHEMBL57237 0.85 GRM8 (0.61) GRM8GRM4GRM6
SCHEMBL56895 0.84 GRM8 (0.50) GRM8GRM4GRM6CYP3A4
SCHEMBL56486 0.83 BTN3A1 (0.51) GRM8GRM4GRM6
SCHEMBL56062 0.83 GRM4 (0.52) GRM8GRM4GRM6MAPK1CA1
SCHEMBL56602 0.83 GRM8 (0.49) GRM8GRM4GRM6
SCHEMBL27883029 0.81 GRM8 (0.48) GRM8GRM4GRM6
SCHEMBL56052 0.81 GRM8 (0.47) GRM8GRM4GRM6
SCHEMBL56157 0.80 GRM8 (0.55) GRM8GRM4GRM6ALDH1A1
SCHEMBL56728 0.80 GRM4 (0.46) GRM8GRM4GRM6ALDH1A1

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 GRM8 4595/4885GRM4 4122/4885GRM6 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.