SCHEMBL5891978

SCHEMBL5891978

CC(C)(C)OC(=O)Nc1ccc(C=O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
MAP4K4 O95819 1/20 0.45
CYP17A1 P05093 3/20 0.45
TYR P14679 2/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
ACSS2 Q9NR19 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MIF P14174 1/20 0.40
PSMB8 P28062 1/20 0.40

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
SCHEMBL31192035 0.88 CA12 (0.49) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL2981356 0.88 CA12 (0.49) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL20157610 0.84 CA12 (0.48) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL29955042 0.84 CA12 (0.48) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL31662881 0.84 CA12 (0.48) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL29956706 0.84 CA12 (0.48) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL28423282 0.83 CA12 (0.51) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL5425869 0.82 CA12 (0.49) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL17903007 0.82 CA12 (0.55) CA12CA1CA9MAP4K4CYP17A1
SCHEMBL27289068 0.82 CA12 (0.46) CA12CA1CA9MAP4K4CYP17A1

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
WO-2019079357-A1 TNIK MODULATORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed
US-7109043-B2 Fluorescent probe for magnesium ion determination JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2006-09-19 US disclosed
US-20040044228-A1 Fluorescent probe for magnesium ion determination JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-03-04 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-20040044228-A1 Fluorescent probe for magnesium ion determination MGST1, CA2, MRM1 CA12 314/4885CA1 20/4885CA9 640/4885

“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.