SCHEMBL20724769

SCHEMBL20724769

CC(C)(C)C1C2CC3CC1CC(NS(N)(=O)=O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA13 Q8N1Q1 1/20 0.32
HSD11B1 P28845 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HSD11B2 P80365 1/20 0.30

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
SCHEMBL19808594 0.85 LMNA (0.34) CA2CA12CA7CA9CA14
SCHEMBL19808235 0.83 CA12 (0.35) CA2CA12CA7CA9CA14
SCHEMBL19808701 0.83 CA12 (0.38) CA2CA12CA7CA9CA14
SCHEMBL20724781 0.81 CA12 (0.31) CA2CA12CA7CA9CA14
SCHEMBL19808233 0.81 ALDH1A1 (0.34) CA2CA12CA7CA9CA14
SCHEMBL19808697 0.78 CA2 (0.35) CA2CA1CA12CA7CA9
SCHEMBL13126726 0.77 CA2 (0.33) CA2CA1CA12CA7CA9
SCHEMBL19808497 0.77 CA2 (0.35) CA2CA1CA12CA7CA9
SCHEMBL19808587 0.76 LMNA (0.51) LMNAALDH1A1HSD11B1HSD11B2
SCHEMBL20724759 0.74 EPHX2 (0.39) CA2CA12CA7CA9CA14

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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 CA2 1563/4885CA1 1754/4885CA12 1331/4885

“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.