SCHEMBL56486

SCHEMBL56486

COP(=O)(CCC(N)C(=O)O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.51
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF11 P52732 1/20 0.45
ANPEP P15144 1/20 0.43
LAP3 P28838 1/20 0.43
SLC1A5 Q15758 2/20 0.42
KLK8 O60259 1/20 0.42
PLAU P00749 1/20 0.42
KLK2 P20151 1/20 0.42
KLK4 Q9Y5K2 1/20 0.42
LTA4H P09960 1/20 0.42

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 0.91 POLB (0.50) GRM8GRM6GRM4POLBKMT2A
SCHEMBL57237 0.90 GRM8 (0.61) BTN3A1GRM8GRM6GRM4KIF11
SCHEMBL56895 0.89 GRM8 (0.50) BTN3A1GRM8GRM6GRM4KIF11
SCHEMBL56602 0.88 GRM8 (0.49) BTN3A1GRM8GRM6GRM4KMT2A
SCHEMBL56062 0.88 GRM4 (0.52) BTN3A1GRM8GRM6GRM4KIF11
SCHEMBL27883029 0.87 GRM8 (0.48) BTN3A1GRM8GRM6GRM4KIF11
SCHEMBL56344 0.86 GRM4 (0.53) GRM8GRM6GRM4KMT2AANPEP
SCHEMBL56052 0.85 GRM8 (0.47) BTN3A1GRM8GRM6GRM4POLB
SCHEMBL23739018 0.85 GRM4 (0.44) BTN3A1GRM8GRM6GRM4TDP1
SCHEMBL56157 0.84 GRM8 (0.55) GRM8GRM6GRM4KIF11

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 5 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

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 BTN3A1 4679/4885GRM8 4595/4885GRM6 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.