SCHEMBL3323909

SCHEMBL3323909

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.37
ATM Q13315 1/20 0.37
KCNA3 P22001 1/20 0.37
IDO1 P14902 1/20 0.36
KCNH2 Q12809 1/20 0.35
GHSR Q92847 1/20 0.35
PYGL P06737 2/20 0.35
MAOA P21397 1/20 0.34
SCN9A Q15858 1/20 0.34
PDE4B Q07343 1/20 0.34
FABP5 Q01469 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL3327727 0.94 EPHX2 (0.39) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL3328783 0.94 EPHX2 (0.41) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL3328789 0.91 ATM (0.41) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL3323474 0.89 ATM (0.40) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL5324391 0.89 ATM (0.43) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL4157658 0.89 ATM (0.43) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL4157662 0.88 NFKB1 (0.35) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL13299075 0.87 EPHX2 (0.39) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL13299071 0.84 ATM (0.40) EPHX2NFKB1NFKB2RELAKDM1A
SCHEMBL13299061 0.80 DRD2 (0.44) EPHX2NFKB1NFKB2RELAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 2475/4885NFKB1 2255/4885NFKB2 2454/4885

“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.