SCHEMBL10094331

SCHEMBL10094331

CC(C)c1ccccc1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KEAP1 Q14145 1/20 0.52
▸ KIF11 P52732 3/20 0.49
▸ PGR P06401 1/20 0.46
▸ NR3C2 P08235 2/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ IKBKB O14920 2/20 0.44
▸ CHUK O15111 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL23479670 0.83 BRD4 (0.53) CA12CA1CA2CA9L3MBTL1
SCHEMBL28084837 0.80 LMNA (0.49) CA12CA1CA2CA9L3MBTL1
SCHEMBL10094416 0.79 MAP2K4 (0.49) L3MBTL1KIF11ALOX5PTGS2IKBKB
SCHEMBL18853897 0.77 IKBKB (0.49) KEAP1KIF11KDM4EALDH1A1LMNA
SCHEMBL10094332 0.77 L3MBTL1 (0.74) CA12CA1CA2CA9L3MBTL1
SCHEMBL29788170 0.77 GRIA4 (0.55) KEAP1KIF11PGRNR3C2ALOX5
SCHEMBL14450924 0.75 MAPK10 (0.45) NR3C2PTGS2ALDH1A1IKBKBCHUK
SCHEMBL873846 0.75 KEAP1 (0.75) CA12CA1CA2CA9KEAP1
SCHEMBL10094319 0.74 SMN1; SMN2 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL31634174 0.74 KDM1A (0.55) KEAP1KIF11PGRNR3C2KDM4E

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-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CA12 4614/4885CA1 3210/4885CA2 269/4885

“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.

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