SCHEMBL56739

SCHEMBL56739

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2A P28223 1/20 0.37
CTSL P07711 1/20 0.36
ATM Q13315 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
SCHEMBL56758 0.97 ALDH1A1 (0.39) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL56269 0.92 TDP1 (0.40) CYP2C9CYP2C19ALDH1A1MAPTMEN1
SCHEMBL56583 0.91 RAB9A (0.41) MAPTMEN1KMT2ARAB9AATM
SCHEMBL56833 0.90 TDP1 (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL57115 0.89 ATM (0.39) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL56408 0.88 BTN3A1 (0.37) GAACYP2C19MAPTMEN1KMT2A
SCHEMBL56466 0.88 TP53 (0.41) MAPTMEN1KMT2A
SCHEMBL57135 0.87 MAPT (0.41) GAAALDH1A1MAPTKMT2ATDP1
SCHEMBL56935 0.86 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL56920 0.85 MMP2 (0.37)

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 GAA 1922/4885CYP2C9 1306/4885CYP2C19 1351/4885

“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.