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Sugi Predict / Compounds / SCHEMBL2000478

SCHEMBL2000478

SCHEMBL2000478

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ PIN1 Q13526 2/20 0.40
▸ RARB P10826 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2001770 0.92 MAPT (0.47) MAPK1NR1H2NR1H3NPC1RAB9A
SCHEMBL2000304 0.91 NR1H2 (0.48) NR1H2NR1H3PKMNPC1RAB9A
SCHEMBL2000480 0.90 TSHR (0.45) TSHRUSP2ALOX15MAPK1HSD17B10
SCHEMBL2000296 0.90 KMT2A (0.43) NR1H2NR1H3POLBKMT2AHTT
SCHEMBL1999973 0.89 NR1H2 (0.45) TSHRNR1H2NR1H3RAB9AL3MBTL1
SCHEMBL2002279 0.89 NR1H2 (0.42) ALOX15NR1H2NR1H3L3MBTL1MEN1
SCHEMBL2001198 0.88 NR1H2 (0.43) NR1H2NR1H3PKMNPC1RAB9A
SCHEMBL2000920 0.88 NR1H2 (0.45) TSHRMAPK1NR1H2NR1H3NPC1
SCHEMBL1997744 0.88 NR1H2 (0.45) TSHRMAPK1NR1H2NR1H3NPC1
SCHEMBL2002953 0.88 NR1H2 (0.47) NR1H2NR1H3PKMNPC1RAB9A

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 16 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
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 TSHR 614/4885USP2 2188/4885ALOX15 1325/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 TSHR 1610/4885USP2 2518/4885ALOX15 674/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 TSHR 1610/4885USP2 2518/4885ALOX15 674/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 TSHR 1610/4885USP2 2518/4885ALOX15 674/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 TSHR 292/4885USP2 2895/4885ALOX15 1562/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 TSHR 614/4885USP2 2188/4885ALOX15 1325/4885

“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.