SCHEMBL56339

SCHEMBL56339

CCC(OP(=O)(CCC(N)C(=O)O)Oc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.38
GRM6 O15303 2/20 0.38
GRM4 Q14833 2/20 0.38
MME P08473 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLK8 O60259 1/20 0.36
PLAU P00749 1/20 0.36
KLK2 P20151 1/20 0.36
KLK4 Q9Y5K2 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL56342 0.79 POLB (0.50) GRM8GRM6GRM4POLBKMT2A
SCHEMBL56486 0.76 BTN3A1 (0.51) GRM8GRM6GRM4POLBKMT2A
SCHEMBL4751175 0.74 HPGD (0.41) GRM8GRM6GRM4POLBKMT2A
SCHEMBL56341 0.73 GRM8 (0.44) GRM8GRM6GRM4POLBKMT2A
SCHEMBL56338 0.72 GRM8 (0.36) GRM8GRM6GRM4
SCHEMBL13538311 0.69 BTN3A1 (0.40) POLBKMT2ATDP1PLAU
SCHEMBL57237 0.68 GRM8 (0.61) GRM8GRM6GRM4KIF11
SCHEMBL56895 0.67 GRM8 (0.50) GRM8GRM6GRM4KIF11
SCHEMBL56052 0.67 GRM8 (0.47) GRM8GRM6GRM4POLBKIF11
SCHEMBL23739018 0.67 GRM4 (0.44) GRM8GRM6GRM4TDP1

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
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

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.