SCHEMBL2000018

SCHEMBL2000018

COc1ccccc1OCCCNC1=C(c2ccccc2)S(=O)(=O)N(C(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1A P08908 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2000548 0.89 NR1H2 (0.45) NR1H2NR1H3NPC1KMT2AHPGD
SCHEMBL2001528 0.89 NR1H2 (0.45) NR1H2NR1H3NPC1HSP90AA1KMT2A
SCHEMBL1999973 0.88 NR1H2 (0.45) NR1H2NR1H3MTNR1AMTNR1BHEXA
SCHEMBL2000304 0.87 NR1H2 (0.48) NR1H2NR1H3MTNR1AMTNR1BNPC1
SCHEMBL1997783 0.86 NR1H2 (0.44) NR1H2NR1H3MTNR1AMTNR1BHEXA
SCHEMBL1999833 0.85 NR1H2 (0.43) NR1H2NR1H3MTNR1AMTNR1BALDH1A1
SCHEMBL1997744 0.84 NR1H2 (0.45) NR1H2NR1H3ADRA1DADRA1AADRA1B
SCHEMBL2003032 0.84 NR1H2 (0.43) NR1H2NR1H3HSP90AA1KMT2AHPGD
SCHEMBL2002953 0.84 NR1H2 (0.47) NR1H2NR1H3MTNR1AMTNR1BNPC1
SCHEMBL2000830 0.84 NR1H2 (0.49) NR1H2NR1H3MTNR1AMTNR1BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
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 (6 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 2/4885MTNR1A 123/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MTNR1A 1195/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MTNR1A 1195/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MTNR1A 1195/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 NR1H2 3/4885NR1H3 2/4885MTNR1A 162/4885
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 2/4885MTNR1A 123/4885

“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.