SCHEMBL56727

SCHEMBL56727

N#Cc1ccc(COP(=O)(O)CCC(N)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.49
GRM8 O00222 4/20 0.43
RAB9A P51151 1/20 0.42
CETP P11597 3/20 0.42
GRM6 O15303 3/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL56061 0.84 GRM4 (0.58) GRM4GRM8CETPGRM6FOLH1
SCHEMBL56051 0.83 FOLH1 (0.46) GRM4GRM8CETPGRM6FOLH1
SCHEMBL56601 0.83 SLC1A5 (0.46) GRM4GRM8RAB9ACETPGRM6
SCHEMBL57236 0.82 GRM8 (0.62) GRM4GRM8RAB9ACETPGRM6
Glufosinate SCHEMBL28207831 0.76 GRM4 (0.59) GRM4GRM8GRM6
SCHEMBL7412848 0.75 MMP12 (0.56) GRM4
SCHEMBL56613 0.74 CTSS (0.49)
SCHEMBL56343 0.74 GRM4 (0.57) GRM4GRM8RAB9ACETPGRM6
SCHEMBL57177 0.74 SLC7A5 (0.47) GRM4GRM8CETPGRM6FOLH1
SCHEMBL56728 0.74 GRM4 (0.46) 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 4 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
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
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 4595/4885RAB9A 3652/4885

“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.