SCHEMBL2004809

SCHEMBL2004809

CCCCN1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O.COCCOCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
GAA P10253 2/20 0.35
DPP4 P27487 2/20 0.33
ELANE P08246 2/20 0.32
TLR2 O60603 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TOP2A P11388 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL1999242 0.83 CA9 (0.55) CA12CA9GAADPP4ALDH1A1
SCHEMBL2002974 0.80 HPGD (0.41) CA12CA9ELANEALDH1A1HPGD
SCHEMBL2001568 0.78 CA12 (0.41) CA12CA9GAAALDH1A1MEN1
SCHEMBL3489724 0.73 CA9 (0.48) CA12CA9GAAALDH1A1HPGD
SCHEMBL3487270 0.73 CA12 (0.48) CA12CA9GAADPP4ALDH1A1
SCHEMBL5614095 0.73 MAPT (0.52) CA12CA9ALDH1A1HPGDALOX12
SCHEMBL1998233 0.72 CA12 (0.45) CA12CA9GAAELANEALDH1A1
SCHEMBL2000303 0.70 CA12 (0.50) CA12CA9ELANEALDH1A1MEN1
SCHEMBL2001113 0.69 CA12 (0.55) CA12CA9GAAALDH1A1MEN1
SCHEMBL5322871 0.68 MAPT (0.40) CA12CA9GAAALDH1A1MEN1

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-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4594/4885CA9 4335/4885GAA 2135/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4594/4885CA9 4335/4885GAA 2135/4885

“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.