SCHEMBL3487111

SCHEMBL3487111

CN1C(=O)C(Nc2ccc(N3CCOCC3)nc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.47
CYP1A2 P05177 2/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3487298 0.87 NR1H2 (0.62) DGAT1CYP1A2NR1H2NR1H3RAB9A
SCHEMBL3487254 0.85 NR1H2 (0.60) CYP1A2NR1H2NR1H3MAPTMEN1
SCHEMBL5613977 0.81 MLNR (0.41) DGAT1
SCHEMBL5607251 0.80 NR1H2 (0.54) CYP1A2NR1H2NR1H3MAPTMEN1
SCHEMBL3487194 0.74 NR1H2 (0.47) CYP1A2NR1H2NR1H3MAPTCYP2C19
SCHEMBL5607055 0.73 DGAT1 (0.48) DGAT1CYP1A2RAB9AGAAMAPT
SCHEMBL3487718 0.72 NR1H2 (0.58) CYP1A2NR1H2NR1H3MAPTMEN1
SCHEMBL3486886 0.72 NR1H2 (0.58) CYP1A2NR1H2NR1H3GAAMAPT
SCHEMBL3486754 0.72 NR1H2 (0.82) CYP1A2NR1H2NR1H3GAAMAPT
SCHEMBL3487580 0.71 NR1H2 (0.54) NR1H2NR1H3RAB9AGAAMAPT

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 DGAT1 404/4885CYP1A2 222/4885NR1H2 1/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DGAT1 444/4885CYP1A2 178/4885NR1H2 1/4885

“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.