SCHEMBL3488372

SCHEMBL3488372

COCCN1C(=O)C(Nc2ccc(N3CCOCC3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
ACVR1 Q04771 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
RAB9A P51151 1/20 0.41
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
JAK2 O60674 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DGAT1 O75907 1/20 0.40
IGF1R P08069 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
SCHEMBL3487580 0.87 NR1H2 (0.54) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL3487718 0.86 NR1H2 (0.58) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL3487254 0.84 NR1H2 (0.60) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL3488042 0.82 NR1H2 (0.42) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL3486954 0.82 CYP1A2 (0.43) NR1H2NR1H3ACVR1ALDH1A1HSD17B10
SCHEMBL4689410 0.82 NR1H2 (0.51) NR1H2NR1H3STK10SLKACVR1
SCHEMBL3486886 0.80 NR1H2 (0.58) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL3486754 0.79 NR1H2 (0.82) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL5607251 0.79 NR1H2 (0.54) NR1H2NR1H3STK10SLKALDH1A1
SCHEMBL2001680 0.78 MAPK1 (0.39) NR1H2NR1H3ALDH1A1HSD17B10CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
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-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US 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
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 (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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885STK10 1910/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885STK10 1993/4885

“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.