SCHEMBL2003485

SCHEMBL2003485

COc1ccc(CCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)C)C2=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.49
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
SLC2A1 P11166 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TTR P02766 1/20 0.44
GLA P06280 1/20 0.44
RAD52 P43351 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1997180 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1GAAL3MBTL1ALDH1A1
SCHEMBL1996165 0.80 GSK3B (0.43) SMN1; SMN2GAANPSR1LMNAKDM4E
SCHEMBL2000989 0.79 CNR1 (0.38) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL1998323 0.78 CA1 (0.46) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL5331966 0.77 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1GAAL3MBTL1ALDH1A1
SCHEMBL2000744 0.77 GBA1 (0.42) SMN1; SMN2GAAL3MBTL1ALDH1A1MAPT
SCHEMBL2000688 0.75 L3MBTL1 (0.40) SMN1; SMN2GAAL3MBTL1ALDH1A1MAPT
SCHEMBL2002918 0.75 MTNR1A (0.41) SMN1; SMN2L3MBTL1LMNAKDM4EHPGD
SCHEMBL3541635 0.71 MAPT (0.49) SMN1; SMN2MAPK1GAAL3MBTL1ALDH1A1
SCHEMBL2004430 0.71 KDM4E (0.36) GAAL3MBTL1ALDH1A1KDM4EHPGD

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-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
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 SMN1; SMN2 4033/4885MAPK1 955/4885GAA 2135/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 SMN1; SMN2 1505/4885MAPK1 1665/4885GAA 2316/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 SMN1; SMN2 1505/4885MAPK1 1665/4885GAA 2316/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 SMN1; SMN2 1505/4885MAPK1 1665/4885GAA 2316/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 SMN1; SMN2 4812/4885MAPK1 4117/4885GAA 2115/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SMN1; SMN2 4033/4885MAPK1 955/4885GAA 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.