SCHEMBL56052

SCHEMBL56052

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.47
GRM6 O15303 2/20 0.47
GRM4 Q14833 2/20 0.47
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KIF11 P52732 1/20 0.38
BTN3A1 O00481 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL27883029 0.89 GRM8 (0.48) GRM8GRM6GRM4KIF11BTN3A1
SCHEMBL57237 0.87 GRM8 (0.61) GRM8GRM6GRM4KIF11BTN3A1
SCHEMBL57178 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189139 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189140 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189160 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189161 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189163 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL21189162 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1
SCHEMBL29503063 0.86 SLC7A5 (0.44) GRM8GRM6GRM4BTN3A1

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
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US 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
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 4595/4885GRM6 3489/4885GRM4 4122/4885

“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.