SCHEMBL56433

SCHEMBL56433

O=CN(OCc1ccccc1)C(CCP(=O)(O)O)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CETP P11597 3/20 0.36
LMNA P02545 1/20 0.35
FOLH1 Q04609 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL57730 0.90 FOLH1 (0.39) S1PR2S1PR4S1PR1S1PR3TSHR
SCHEMBL56607 0.89 FOLH1 (0.38) S1PR2S1PR4S1PR1S1PR3TSHR
SCHEMBL4752515 0.87 ALDH1A1 (0.38) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL57805 0.83 KYNU (0.35) ALDH1A1HCAR2FOLH1CTSB
SCHEMBL57115 0.80 ATM (0.39) ALDH1A1TSHRKMT2A
SCHEMBL56408 0.79 BTN3A1 (0.37) KMT2ALMNA
SCHEMBL56466 0.79 TP53 (0.41) L3MBTL1KMT2A
SCHEMBL57019 0.78 PRTN3 (0.39) ALDH1A1TSHRMAPK1L3MBTL1TDP1
SCHEMBL56269 0.78 TDP1 (0.40) ALDH1A1KMT2ATDP1
SCHEMBL57135 0.78 MAPT (0.41) ALDH1A1TSHRMAPK1L3MBTL1SLC6A2

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
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
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 ALDH1A1 1716/4885S1PR2 729/4885S1PR4 1750/4885

“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.