SCHEMBL2000580

SCHEMBL2000580

[CH2]CCC(=O)Oc1c(C)cccc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL2058958 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL28517396 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL10792928 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL10815202 0.81 MEN1 (0.49) L3MBTL1KMT2AMEN1ATMALDH1A1
SCHEMBL10470330 0.80 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL10469630 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL27837177 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL19163738 0.79 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL1751993 0.79 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
Hydrochloric Acid SCHEMBL2000008 0.77 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1KMT2AMEN1ATM

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 SMN1; SMN2 4033/4885L3MBTL1 4543/4885KMT2A 2880/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SMN1; SMN2 4033/4885L3MBTL1 4543/4885KMT2A 2880/4885

“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.