SCHEMBL2001082

SCHEMBL2001082

CC(C)(C)N1C(=O)C(NCCCOC(=O)c2ccc(O)cc2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
KDR P35968 1/20 0.37
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
CNR2 P34972 1/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL2001084 0.91 NR1H2 (0.42) ESR1TSHRLMNACYP2D6MAPK1
SCHEMBL2001772 0.85 MAPT (0.47) LMNAMAPK1SMN1; SMN2TDP1ALDH1A1
SCHEMBL2000480 0.83 TSHR (0.45) TSHRMAPK1ALDH1A1RAB9A
SCHEMBL2001770 0.76 MAPT (0.47) LMNAMAPK1SMN1; SMN2NR1H2TDP1
SCHEMBL2004216 0.72 MEN1 (0.36) LMNASMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL1999834 0.72 NR1H2 (0.33) LMNASMN1; SMN2NR1H2TDP1ALDH1A1
SCHEMBL5308618 0.71 NR1H2 (0.36) LMNAMAPK1CYP1A2CYP2C19NR1H2
SCHEMBL2002953 0.68 NR1H2 (0.47) LMNASMN1; SMN2NR1H2MAPTRAB9A
SCHEMBL2000018 0.67 NR1H2 (0.45) LMNANR1H2ALDH1A1
SCHEMBL1999973 0.67 NR1H2 (0.45) TSHRSMN1; SMN2NR1H2ALDH1A1MAPT

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 ESR1 250/4885TSHR 614/4885LMNA 3236/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 ESR1 2456/4885TSHR 1610/4885LMNA 3596/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ESR1 2456/4885TSHR 1610/4885LMNA 3596/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ESR1 2456/4885TSHR 1610/4885LMNA 3596/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 ESR1 26/4885TSHR 292/4885LMNA 2743/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ESR1 250/4885TSHR 614/4885LMNA 3236/4885

“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.