SCHEMBL57236

SCHEMBL57236

COc1ccc(COP(=O)(O)CCC(N)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.62
GRM4 Q14833 4/20 0.62
GRM6 O15303 2/20 0.62
KIF11 P52732 1/20 0.48
LDHA P00338 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
CETP P11597 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
SCHEMBL56061 0.86 GRM4 (0.58) GRM8GRM4GRM6CETP
SCHEMBL56051 0.85 FOLH1 (0.46) GRM8GRM4GRM6CETP
SCHEMBL56601 0.85 SLC1A5 (0.46) GRM8GRM4GRM6RAB9ACETP
SCHEMBL56727 0.82 GRM4 (0.49) GRM8GRM4GRM6RAB9ACETP
SCHEMBL6950447 0.77 KIF11 (0.57) GRM8GRM4GRM6KIF11LDHA
SCHEMBL18071078 0.77 KIF11 (0.57) GRM8GRM4GRM6KIF11LDHA
SCHEMBL6942606 0.77 KIF11 (0.57) GRM8GRM4GRM6KIF11LDHA
SCHEMBL57177 0.76 SLC7A5 (0.47) GRM8GRM4GRM6CETP
SCHEMBL56343 0.76 GRM4 (0.57) GRM8GRM4GRM6RAB9ASMN1; SMN2
SCHEMBL57237 0.76 GRM8 (0.61) GRM8GRM4GRM6KIF11LDHA

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 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.