SCHEMBL1998358

SCHEMBL1998358

[CH2]COc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
MMP1 P03956 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA2 P00918 6/20 0.39
CA12 O43570 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
CA9 Q16790 4/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
CA1 P00915 3/20 0.37
CA7 P43166 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL575589 0.82 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL2000362 0.79 STS (0.44) MMP2MMP7MMP9MMP14MMP1
SCHEMBL15247137 0.78 TSHR (0.59) PPARGPPARAALDH1A1CA2CA12
SCHEMBL4707838 0.76 NQO1 (0.47) CA2CA12GAACA9CA1
SCHEMBL5543941 0.76 PPARA (0.44) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1353639 0.76 MMP2 (0.43) MMP2MMP7MMP9MMP14MMP1
SCHEMBL3838977 0.75 CA2 (0.58) MMP2MMP7MMP9MMP14MMP1
SCHEMBL3073466 0.75 NPC1 (0.63) MMP2MMP9MMP14MMP1MMP3
SCHEMBL5663477 0.75 CA12 (0.43) MMP2MMP7MMP9MMP14MMP1
SCHEMBL14526665 0.74 PPARA (0.43) MMP2MMP7MMP9MMP14MMP1

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 11 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 claimed
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 claimed
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 claimed
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 claimed
CN-1409701-A Crystalline forms of -2-ethoxy-3- [ 4- (2- { 4-methanesulfonyloxyphenyl } ethoxy) phenyl ] propanoic acid ASTRAZENCA AB (SE) 2003-04-09 CN claimed
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
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 MMP2 4443/4885MMP7 4537/4885MMP9 4449/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MMP2 4443/4885MMP7 4537/4885MMP9 4449/4885

“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.