SCHEMBL1997734

SCHEMBL1997734

CC(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
FBP1 P09467 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2000813 0.81 KDM4E (0.40) KDM4ERECQLPKML3MBTL1HPGD
SCHEMBL2000053 0.78 NR1H2 (0.39) KDM4ERECQLPKML3MBTL1HPGD
SCHEMBL2000537 0.78 CA2 (0.44) P2RX7CA12CA2CA9LIPG
SCHEMBL1998481 0.76 CDC25A (0.40) KDM4ERECQLPKML3MBTL1HPGD
SCHEMBL1998186 0.75 CA12 (0.50) KDM4EHPGDCA12CA2CA9
SCHEMBL2000895 0.74 CA9 (0.50) KDM4EPKML3MBTL1HPGDP2RX7
SCHEMBL2000688 0.74 L3MBTL1 (0.40) KDM4EPKML3MBTL1HPGDTSHR
SCHEMBL1997878 0.73 MAPK8 (0.42) KDM4ERECQLPKML3MBTL1HPGD
SCHEMBL2005895 0.71 CA12 (0.54) KDM4EPKML3MBTL1CA12CA9
SCHEMBL2001896 0.71 CCR1 (0.40) KDM4EPKMHPGDLMNAMEN1

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 15 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 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
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example ASTRAZENECA AB (SE) 2008-06-12 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
EP-1838684-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073365-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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
WO-2006073363-A1 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 (6 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 KDM4E 4430/4885RECQL 3112/4885PKM 1692/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885RECQL 3574/4885PKM 1843/4885
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4497/4885RECQL 3816/4885PKM 2112/4885
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example NR1H2, NR1H3, SREBF1 KDM4E 4271/4885RECQL 4369/4885PKM 1166/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885RECQL 3574/4885PKM 1843/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4498/4885RECQL 2984/4885PKM 1791/4885

“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.