SCHEMBL2000271

SCHEMBL2000271

[CH2]CCOc1ccc(CC(=O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL2091604 0.86 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL2628190 0.85 SMN1; SMN2 (0.59) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL2633187 0.85 CYP4F2 (0.64) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL3333378 0.85 KDM4E (0.69) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL10076459 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL25378005 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL2437986 0.83 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL926955 0.83 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL8850625 0.83 CYP4F2 (0.62) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL3713107 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACYP4F2CYP4A11

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 12 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
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 claimed
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 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 ALDH1A1 2568/4885NPC1 76/4885RAB9A 3641/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885NPC1 76/4885RAB9A 3641/4885

“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.