SCHEMBL3323474

SCHEMBL3323474

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.39
MAOB P27338 2/20 0.38
KDM1A O60341 2/20 0.38
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
KCNA3 P22001 1/20 0.36
MAOA P21397 1/20 0.35
IDO1 P14902 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL13299071 0.93 ATM (0.40) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL3323909 0.89 EPHX2 (0.41) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL3327727 0.85 EPHX2 (0.39) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL3328789 0.85 ATM (0.41) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL3328783 0.83 EPHX2 (0.41) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL4157658 0.83 ATM (0.43) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL5324391 0.83 ATM (0.43) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL4157662 0.80 NFKB1 (0.35) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL4143264 0.80 ATM (0.45) ATMEPHX2MAOBKDM1AKMT2A
SCHEMBL13299075 0.79 EPHX2 (0.39) ATMEPHX2MAOBKDM1AKMT2A

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 ATM 2986/4885EPHX2 2475/4885MAOB 1319/4885

“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.