SCHEMBL2001799

SCHEMBL2001799

CC(C)(C)N1C(=O)C(NCCC2CN(C(=O)O)C2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NAMPT P43490 2/20 0.32
ACHE P22303 1/20 0.31
ACKR3 P25106 1/20 0.30
CHRM4 P08173 1/20 0.30
GCGR P47871 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL2001800 0.90 NR1H2 (0.47) NR1H2NR1H3NAMPTACHEACKR3
SCHEMBL2006144 0.89 NAMPT (0.44) NAMPTACKR3
SCHEMBL2007872 0.86 NR1H2 (0.35) NR1H2NR1H3NAMPT
SCHEMBL2006147 0.80 NAMPT (0.44) NR1H2NR1H3NAMPTACKR3
SCHEMBL2001655 0.78 CDC25A (0.41) NR1H2NR1H3CA12CA2CA9
SCHEMBL5332269 0.77 NAMPT (0.35) NAMPTACKR3
SCHEMBL2007867 0.76 NR1H2 (0.46) NR1H2NR1H3NAMPTGCGRCA12
SCHEMBL2004349 0.76 NR1H2 (0.40) NR1H2NR1H3ACHE
SCHEMBL5308618 0.74 NR1H2 (0.36) NR1H2NR1H3CA12CA2CA9
SCHEMBL2000480 0.72 TSHR (0.45)

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 4 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

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 NR1H2 1/4885NR1H3 2/4885NAMPT 2194/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885NAMPT 2194/4885

“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.