SCHEMBL4116286

SCHEMBL4116286

COC(=O)c1c(O)c(Br)cc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA12 O43570 6/20 0.48
CA7 P43166 6/20 0.48
CA9 Q16790 6/20 0.48
CA14 Q9ULX7 6/20 0.48
XDH P47989 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 2/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL31235924 0.83 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL31155982 0.79 LMNA (0.44) CA1CA2CA12CA7CA9
SCHEMBL8551084 0.79 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL16048561 0.79 POLB (0.45) CA1CA2CA12CA7CA9
SCHEMBL282481 0.78 KDM4E (0.63) CA1CA2CA12CA7CA9
SCHEMBL7737835 0.78 CYP3A4 (0.55) CA1CA2CA12CA7CA9
SCHEMBL6492703 0.78 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL20549398 0.77 LMNA (0.43) CA1CA2CA12CA7CA9
SCHEMBL31335930 0.77 NOTUM (0.41) CA1CA2CA12CA7CA9
SCHEMBL4113651 0.77 CA2 (0.48) CA1CA2CA12CA7CA9

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 CA1 730/4885CA2 339/4885CA12 1782/4885

“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.