SCHEMBL1998121

SCHEMBL1998121

CCCCN1C(=O)C(NCc2ccccc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
GAA P10253 2/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2A P08913 1/20 0.41
POLB P06746 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.37
GRM2 Q14416 1/20 0.37
CASP3 P42574 2/20 0.37

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
SCHEMBL2004764 0.90 MAPT (0.45) CA12CA9GAAALDH1A1POLB
SCHEMBL5185942 0.89 ACHE (0.43) CA12CA9GAAACHEALDH1A1
SCHEMBL2001723 0.88 KDM4E (0.46) CA12CA9GAAACHEALDH1A1
SCHEMBL1997883 0.86 CA12 (0.39) CA12CA9GAAACHEALDH1A1
SCHEMBL2000112 0.85 ALDH1A1 (0.42) CA12CA9GAAALDH1A1L3MBTL1
SCHEMBL2003890 0.85 CA12 (0.48) CA12CA9GAAACHEALDH1A1
SCHEMBL5186782 0.84 KDM4E (0.43) CA12CA9GAAACHEALDH1A1
SCHEMBL2001526 0.83 SMN1; SMN2 (0.52) GAAALDH1A1L3MBTL1POLBHPGD
SCHEMBL19128463 0.83 CA12 (0.46) CA12CA9GAAACHEALDH1A1
SCHEMBL1998233 0.82 CA12 (0.45) CA12CA9GAAACHEALDH1A1

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 15 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
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 CA12 4594/4885CA9 4335/4885GAA 2135/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 CA12 4052/4885CA9 4139/4885GAA 2316/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 CA12 4052/4885CA9 4139/4885GAA 2316/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 CA12 4052/4885CA9 4139/4885GAA 2316/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 CA12 508/4885CA9 534/4885GAA 2115/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4594/4885CA9 4335/4885GAA 2135/4885

“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.