SCHEMBL56614

SCHEMBL56614

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
SNCA P37840 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTN3A1 O00481 1/20 0.35
ABCB1 P08183 1/20 0.35
HPGD P15428 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ELANE P08246 2/20 0.34
PRTN3 P24158 2/20 0.34
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL57115 0.90 ATM (0.39) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL56408 0.89 BTN3A1 (0.37) BTN3A1HPGDELANEPRTN3MEN1
SCHEMBL56466 0.88 TP53 (0.41) L3MBTL1BTN3A1ELANEPRTN3MEN1
SCHEMBL57135 0.88 MAPT (0.41) L3MBTL1BTN3A1HPGDELANEPRTN3
SCHEMBL56935 0.87 ALDH1A1 (0.41) L3MBTL1BTN3A1ELANEPRTN3MAPT
SCHEMBL56920 0.86 MMP2 (0.37) BTN3A1ELANEPRTN3
SCHEMBL56739 0.85 GAA (0.38) CTSLMEN1MAPTKMT2ATDP1
SCHEMBL56758 0.83 ALDH1A1 (0.39) CTSLBTN3A1MEN1MAPTKMT2A
SCHEMBL57805 0.82 KYNU (0.35) CTSLCTSSELANEPRTN3
SCHEMBL57868 0.82 L3MBTL1 (0.37) L3MBTL1BTN3A1ELANEPRTN3

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 MAOB 3434/4885SNCA 4696/4885CYP11B1 140/4885

“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.