SCHEMBL22489397

SCHEMBL22489397

CC(C)(C)OC(=O)CCNS(=O)(=O)CCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.41
CA14 Q9ULX7 8/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
CA7 P43166 4/20 0.34
CA9 Q16790 3/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHX2 P34913 1/20 0.32
RELA Q04206 4/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL22489851 0.91 RELA (0.36) CA12CA14CA2CA1CA7
SCHEMBL22489870 0.83 CA12 (0.45) CA12CA14CA2CA1CA7
SCHEMBL29206820 0.80 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL28258459 0.76 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL20087370 0.76 APEX1 (0.35) CA12CA14CA2CA1CA7
SCHEMBL5179584 0.74 MAOA (0.39) CA12CA14CA2CA1CA7
SCHEMBL671558 0.73 LMNA (0.39) CA12CA14CA2CA1CA9
SCHEMBL17151036 0.73 CA12 (0.44) CA12CA14CA2CA1CA7
SCHEMBL31044412 0.73 TDP1 (0.45) CA12CA14CA2CA1CA9
SCHEMBL132540 0.72 HDAC1 (0.37) CA12CA14CA2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 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 (2 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 CA12 1897/4885CA14 1851/4885CA2 786/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 CA12 1866/4885CA14 1852/4885CA2 760/4885

“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.