SCHEMBL2002278

SCHEMBL2002278

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 3/20 0.39
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PTGER4 P35408 1/20 0.38
ITGB3 P05106 2/20 0.38
LTA4H P09960 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
PLA2G4B P0C869 1/20 0.38
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL2002279 0.91 NR1H2 (0.42) ALOX15PPARDKDM4ELTB4RLTB4R2
SCHEMBL1998100 0.90 ALDH1A1 (0.41) PPARDKDM4ELTB4RALDH1A1PLA2G4B
SCHEMBL2000480 0.89 TSHR (0.45) ALOX15KDM4EALDH1A1L3MBTL1PLA2G4B
SCHEMBL2001772 0.87 MAPT (0.47) KDM4ELMNAALDH1A1L3MBTL1MAPT
SCHEMBL2000962 0.85 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1PTGER4GAA
SCHEMBL2000298 0.82 KMT2A (0.43) KDM4EALDH1A1PLA2G4BGAAKMT2A
SCHEMBL2004216 0.82 MEN1 (0.36) KDM4ELMNAALDH1A1L3MBTL1MAPT
SCHEMBL2001198 0.81 NR1H2 (0.43) KDM4ELMNAALDH1A1L3MBTL1MAPT
SCHEMBL2003669 0.81 ALDH1A1 (0.41) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL1998101 0.81 PLA2G4B (0.41) PPARDKDM4ELTB4RALDH1A1PLA2G4B

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 14 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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 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 ALOX15 1325/4885PPARD 84/4885KDM4E 4359/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 ALOX15 674/4885PPARD 164/4885KDM4E 1602/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ALOX15 674/4885PPARD 164/4885KDM4E 1602/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ALOX15 674/4885PPARD 164/4885KDM4E 1602/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 ALOX15 1562/4885PPARD 216/4885KDM4E 2159/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALOX15 1325/4885PPARD 84/4885KDM4E 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.