SCHEMBL21089614

SCHEMBL21089614

CC(C)(C)OC(=O)NCc1cc(CO)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
WDR5 P61964 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KDM4A O75164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 1/20 0.39
GRM2 Q14416 1/20 0.39
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
NAMPT P43490 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HDAC1 Q13547 1/20 0.36
GAA P10253 1/20 0.36
HTR2C P28335 2/20 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
SCHEMBL21089583 0.86 MRGPRX4 (0.45) GLSMAPK14CACNA1HROCK2ROCK1
SCHEMBL18526150 0.82 MAPK14 (0.58) GLSMAPK14CACNA1HNAMPTROCK2
SCHEMBL13055397 0.81 KDM4A (0.51) GLSKDM4AL3MBTL1CACNA1HCACNA1B
SCHEMBL29130074 0.78 KDM4A (0.40) GLSEPHX2NR1H4KDM4AL3MBTL1
SCHEMBL14877950 0.78 KDM4A (0.47) GLSKDM4AL3MBTL1NAMPTHDAC1
SCHEMBL21089580 0.77 MRGPRX4 (0.56) GLSMAPK14ROCK2ROCK1HDAC1
SCHEMBL30069429 0.76 GLS (0.55) GLSKDM4AL3MBTL1GRM2NAMPT
SCHEMBL1165088 0.76 GLS (0.55) GLSKDM4AL3MBTL1GRM2NAMPT
SCHEMBL22702218 0.75 KDM4A (0.47) GLSKDM4AL3MBTL1NAMPTHDAC1
SCHEMBL1164796 0.75 L3MBTL1 (0.56) EPHX2KDM4AL3MBTL1GRM2NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (2 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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 GLS 1582/4885EPHX2 67/4885NR1H4 1913/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 GLS 1582/4885EPHX2 67/4885NR1H4 1913/4885

“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.