SCHEMBL2000568

SCHEMBL2000568

CC(C)(C)OC(=O)NCCc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.56
CA1 P00915 9/20 0.56
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
NAMPT P43490 1/20 0.49
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
STS P08842 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 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
SCHEMBL21334008 0.88 CA2 (0.55) CA2CA1CA12CA9NAMPT
SCHEMBL27554418 0.87 CA2 (0.52) CA2CA1CA12CA9NAMPT
SCHEMBL5893426 0.87 CA2 (0.54) CA2CA1CA12CA9NAMPT
SCHEMBL1569930 0.84 CA2 (0.56) CA2CA1CA12CA9NAMPT
SCHEMBL8757522 0.83 GLA (0.67) CA2CA1NAMPTGLAKMT2A
SCHEMBL579612 0.82 CA2 (0.54) CA2CA1CA12CA9
SCHEMBL8757517 0.82 CA2 (0.53) CA2CA1CA12CA9NAMPT
SCHEMBL12641164 0.81 CA2 (0.56) CA2CA1NAMPTSMN1; SMN2
SCHEMBL11687632 0.81 NPC1 (0.56) CA2CA1CA12CA9NAMPT
SCHEMBL27741033 0.81 ACACB (0.59) CA2CA1CA12CA9NAMPT

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 7 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
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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 CA2 3449/4885CA1 3692/4885CA12 4594/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA2 3449/4885CA1 3692/4885CA12 4594/4885

“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.