SCHEMBL25455331

SCHEMBL25455331

CC(C)(C)OC(=O)NOCOc1cc(CO)cc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.35
CA1 P00915 7/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35
LCK P06239 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
AKT1 P31749 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL25455333 0.90 CA1 (0.36) CA12CA1CA2CA9CA7
SCHEMBL25456679 0.86 CA12 (0.41) CA12CA1CA2CA9LCK
SCHEMBL1742131 0.77 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL25456682 0.77 CA1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL2610727 0.76 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL25455352 0.76 CA12 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL24142767 0.75 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL25455337 0.75 CREBBP (0.36) CA12CA1CA2CA9CA7
SCHEMBL28030326 0.73 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL15858093 0.72 CYP17A1 (0.47) CA12CA1CA9LCKCA7

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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 CA12 2633/4885CA1 3880/4885CA2 3260/4885

“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.