SCHEMBL3487282

SCHEMBL3487282

Nc1ccc(CN2C(=O)C(Nc3ccc(N4CCOCC4)cc3)=C(c3ccccc3)S2(=O)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
INSR P06213 1/20 0.42
JAK2 O60674 4/20 0.41
ABL1 P00519 2/20 0.41
NTRK1 P04629 2/20 0.41
YES1 P07947 2/20 0.41
KDR P35968 2/20 0.41
PIM1 P11309 1/20 0.41
MAPK1 P28482 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
STAT6 P42226 3/20 0.41
PLK4 O00444 2/20 0.40
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL3487943 0.86 NR1H2 (0.44) NR1H2NR1H3INSRJAK2STAT6
SCHEMBL4690096 0.84 NR1H2 (0.51) NR1H2NR1H3INSRJAK2ABL1
SCHEMBL3487718 0.80 NR1H2 (0.58) NR1H2NR1H3INSRJAK2ABL1
SCHEMBL3487297 0.80 NR1H2 (0.46) NR1H2NR1H3INSRJAK2MAPK1
SCHEMBL4685753 0.80 NR1H2 (0.41) NR1H2NR1H3INSRJAK2ABL1
SCHEMBL3489506 0.79 NAMPT (0.36) NR1H2NR1H3MEN1MAPTKMT2A
SCHEMBL3487939 0.79 DGAT1 (0.42) JAK2STAT6PLK4SMN1; SMN2MEN1
SCHEMBL4688259 0.78 JAK2 (0.42) INSRJAK2ABL1NTRK1YES1
SCHEMBL3487580 0.76 NR1H2 (0.54) NR1H2NR1H3INSRJAK2ABL1
SCHEMBL3488372 0.76 NR1H2 (0.53) NR1H2NR1H3INSRJAK2ABL1

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 10 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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 2/4885INSR 10/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885INSR 10/4885

“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.