SCHEMBL2005308

SCHEMBL2005308

[CH2]CC(=O)OC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.50
SCN1A P35498 5/20 0.46
SCN2A Q99250 5/20 0.46
SCN3A Q9NY46 5/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM3 P20309 3/20 0.45
CHRM1 P11229 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.41
MLNR O43193 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL23004635 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL16897737 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL3367960 0.81
SCHEMBL25475322 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL5844533 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL27826248 0.79 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL20954287 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
Hydrochloric Acid SCHEMBL10968581 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL25475217 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
Hydrochloric Acid SCHEMBL5843353 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A

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 2568/4885SMN1; SMN2 4033/4885RAB9A 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 2568/4885SMN1; SMN2 4033/4885RAB9A 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.