SCHEMBL1998481

SCHEMBL1998481

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.40
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 4/20 0.39
LMNA P02545 4/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CASP6 P55212 2/20 0.36
THRB P10828 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2000688 0.83 L3MBTL1 (0.40) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL2002918 0.83 MTNR1A (0.41) KDM4EL3MBTL1LMNAPKMRECQL
SCHEMBL1999870 0.83 KMT2A (0.42) ALDH1A1L3MBTL1LMNAKMT2APKM
SCHEMBL1996165 0.81 GSK3B (0.43) KDM4EGAALMNAHTTSMN1; SMN2
SCHEMBL2003178 0.81 NR1H2 (0.53) CDC25AKDM4EALDH1A1MAPTGAA
SCHEMBL2000053 0.79 NR1H2 (0.39) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2000744 0.78 GBA1 (0.42) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL1998323 0.77 CA1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL2004430 0.77 KDM4E (0.36) KDM4EALDH1A1GAAL3MBTL1MEN1
SCHEMBL2001283 0.77 KDM4E (0.37) KDM4EALDH1A1MAPTGAAMAPK1

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 6 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-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 CDC25A 3498/4885KDM4E 4359/4885ALDH1A1 2568/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CDC25A 3498/4885KDM4E 4359/4885ALDH1A1 2568/4885

“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.