SCHEMBL3327685

SCHEMBL3327685

COCCC(C(=O)OC)[C@@H]1c2ccccc2C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DRD2 P14416 2/20 0.36
KCNH2 Q12809 1/20 0.36
GHSR Q92847 1/20 0.36
KDM1A O60341 2/20 0.35
MAOB P27338 2/20 0.35
KLK5 Q9Y337 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 1/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 1/20 0.33
NAMPT P43490 2/20 0.33
MAPK14 Q16539 2/20 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
SCHEMBL3325661 0.85 PYGL (0.43) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3327185 0.85 DRD2 (0.42) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL13299052 0.84 EPHX2 (0.45) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL4158955 0.82 EPHX2 (0.44) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3324187 0.82 PYGL (0.42) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3327964 0.81 PYGL (0.40) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL4708793 0.78 EPHX2 (0.45) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3331272 0.78 EPHX2 (0.45) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3323909 0.74 EPHX2 (0.41) PYGLEPHX2ATMNFKB1NFKB2
SCHEMBL3328783 0.74 EPHX2 (0.41) PYGLEPHX2ATMNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 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 (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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 PYGL 1/4885EPHX2 2475/4885ATM 2986/4885

“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.