SCHEMBL10094606

SCHEMBL10094606

CC(C)N1CCS(=O)(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CYP2D6 P10635 1/20 0.32
NOTUM Q6P988 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
EPAS1 Q99814 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
SCHEMBL11995145 0.77 CA2 (0.41) CA12CA1CA2CA4CA7
SCHEMBL3972121 0.76 MAPK1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL18960761 0.75
SCHEMBL6809964 0.74 LMNA (0.31) MAPK1MEN1KMT2A
SCHEMBL22402999 0.74 KCNN4 (0.40) KMT2ACYP2C9CYP2D6
SCHEMBL23820014 0.74 MAPK1 (0.36) CA12CA1CA2CA4CA7
SCHEMBL15739664 0.73 CA12 (0.39) CA12CA1CA2CA4CA7
SCHEMBL1106902 0.72 CYP2D6 (0.39) SMN1; SMN2CYP2C9CYP2D6KDM1A
SCHEMBL12928755 0.72 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL12960882 0.72 HTT (0.41) CA12CA1CA2CA4CA7

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 4 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-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 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 (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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CA12 4854/4885CA1 4273/4885CA2 758/4885
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.