SCHEMBL1997004

SCHEMBL1997004

CC(C)(C)N1C(=O)C(NCCOc2ccc(C(F)(F)F)cn2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GABRA5 P31644 1/20 0.41
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
HPGD P15428 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CNR1 P21554 3/20 0.34
PPARD Q03181 1/20 0.34
CNR2 P34972 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
LIPE Q05469 2/20 0.33
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL5226001 0.83 GABRA5 (0.36) GABRA5PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL30412809 0.82 NR1H2 (0.45) NR1H2NR1H3GABRA5SCN9AMAPK1
SCHEMBL2001884 0.82 NR1H2 (0.45) NR1H2NR1H3GABRA5SCN9AMAPK1
SCHEMBL1998134 0.79 POLB (0.50)
SCHEMBL2002288 0.78 CHRNB2 (0.44) NR1H2NR1H3
SCHEMBL2000304 0.78 NR1H2 (0.48) NR1H2NR1H3HPGD
SCHEMBL2000548 0.78 NR1H2 (0.45) NR1H2NR1H3HPGD
SCHEMBL2000018 0.77 NR1H2 (0.45) NR1H2NR1H3HPGD
SCHEMBL1999381 0.77 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL2000315 0.76 NR1H2 (0.53) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 2/4885GABRA5 1930/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885GABRA5 1632/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 NR1H2 3/4885NR1H3 2/4885GABRA5 651/4885
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 2/4885GABRA5 1930/4885

“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.