SCHEMBL2001198

SCHEMBL2001198

CC(C)(C)N1C(=O)C(NCCCOc2ccc(CO)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KDM4E B2RXH2 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 1/20 0.35
RECQL P46063 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 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
SCHEMBL2000304 0.91 NR1H2 (0.48) NR1H2NR1H3L3MBTL1MAPTLMNA
SCHEMBL2002279 0.90 NR1H2 (0.42) NR1H2NR1H3KDM4EL3MBTL1MAPT
SCHEMBL2001516 0.90 NR1H2 (0.41) NR1H2NR1H3KDM4EPOLBGAA
SCHEMBL1999973 0.89 NR1H2 (0.45) NR1H2NR1H3L3MBTL1MAPTKMT2A
SCHEMBL30411783 0.89 NR1H2 (0.41) NR1H2NR1H3KDM4EL3MBTL1MAPT
SCHEMBL2000478 0.88 TSHR (0.45) NR1H2NR1H3KDM4EL3MBTL1KMT2A
SCHEMBL2000920 0.88 NR1H2 (0.45) NR1H2NR1H3L3MBTL1MAPTKMT2A
SCHEMBL1997744 0.88 NR1H2 (0.45) NR1H2NR1H3KDM4EL3MBTL1MAPT
SCHEMBL2002953 0.88 NR1H2 (0.47) NR1H2NR1H3L3MBTL1MAPTLMNA
SCHEMBL2000830 0.88 NR1H2 (0.49) NR1H2NR1H3KDM4EL3MBTL1MAPT

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
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 (5 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 2/4885KDM4E 4359/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885KDM4E 1602/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NR1H2 2/4885NR1H3 1/4885KDM4E 1602/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 NR1H2 3/4885NR1H3 2/4885KDM4E 2159/4885
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 2/4885KDM4E 4359/4885

“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.