SCHEMBL22971024

SCHEMBL22971024

CCOC(=O)COC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
NLRP3 Q96P20 7/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5001089 0.93 CA12 (0.55) CA12CA1CA2CA9NFKB1
SCHEMBL398901 0.89 CA12 (0.50) CA12CA1CA2CA9NFKB1
SCHEMBL5642231 0.81 GAA (0.44) CA12CA1CA2CA9NFKB1
SCHEMBL14311330 0.80 CA12 (0.38) CA12CA1CA2CA9NFKB1
SCHEMBL1689401 0.79 HDAC6 (0.37) CA12CA1CA2CA9NFKB1
SCHEMBL16065434 0.78 CA12 (0.36) CA12CA1CA2CA9NFKB1
SCHEMBL992004 0.78 CA12 (0.37) CA12CA1CA2CA9NFKB1
SCHEMBL15487077 0.78 CA12 (0.37) CA12CA1CA2CA9NFKB1
SCHEMBL18758783 0.78 CA12 (0.43) CA12CA1CA2CA9NFKB1
SCHEMBL22970936 0.77 CA12 (0.38) CA12CA1CA2CA9NFKB1

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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS Graybug Vision, Inc. (US) 2021-02-11 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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS PDE6C, AGER, PDE6A CA12 3912/4885CA1 3247/4885CA2 261/4885

“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.