SCHEMBL1999234

SCHEMBL1999234

CC(C)(C)N1C(=O)C(NCCSC2CCNC2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PARP14 Q460N5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DNMT1 P26358 1/20 0.30
DNMT3B Q9UBC3 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
SCHEMBL2004761 0.80 NR1H2 (0.45) NR1H2NR1H3MAPK1HSD17B10CA12
SCHEMBL1995776 0.78 USP30 (0.43) NR1H2NR1H3
SCHEMBL1995172 0.76 NR1H2 (0.52) NR1H2NR1H3MAPK1HSD17B10CA12
SCHEMBL2003178 0.76 NR1H2 (0.53) NR1H2NR1H3MAPK1CA12CA2
SCHEMBL2005976 0.76 NR1H2 (0.53) NR1H2NR1H3CA12CA2CA9
SCHEMBL3550912 0.75 NR1H2 (0.46) NR1H2NR1H3MAPK1CA12CA2
SCHEMBL1999999 0.74 NR1H2 (0.52) NR1H2NR1H3MAPK1CA12CA2
SCHEMBL1999959 0.74 NR1H2 (0.47) NR1H2NR1H3MAPK1CA12CA2
SCHEMBL1999743 0.74 NR1H2 (0.56) NR1H2NR1H3HSD17B10CA12CA2
SCHEMBL2001057 0.74 NR1H2 (0.51) NR1H2NR1H3MAPK1CA12CA2

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 13 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-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

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 2/4885MAPK1 955/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MAPK1 1665/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MAPK1 1665/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885MAPK1 1665/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 NR1H2 3/4885NR1H3 2/4885MAPK1 4117/4885
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 2/4885MAPK1 955/4885

“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.