SCHEMBL1999730

SCHEMBL1999730

CC(C)N1C(=O)C(NC2CCN(c3nccc(C(F)(F)F)n3)CC2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.46
RBP4 P02753 1/20 0.45
CHRM4 P08173 1/20 0.42
PKM P14618 1/20 0.42
ADRB1 P08588 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ACACB O00763 1/20 0.40
HPGD P15428 1/20 0.39
OGA O60502 1/20 0.38
SCD O00767 1/20 0.38
CCR2 P41597 2/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2C P28335 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
SYK P43405 1/20 0.37
CCR5 P51681 1/20 0.37
CETP P11597 1/20 0.37
WHR1 P49842 1/20 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
SCHEMBL5184335 0.83 CHRM4 (0.35) SLC6A7RBP4CHRM4PKMCHRM2
SCHEMBL2002420 0.81 HRH3 (0.43) SLC6A7HTR2A
SCHEMBL30411471 0.81 HRH3 (0.43) SLC6A7HTR2A
SCHEMBL1996472 0.79 METAP1 (0.49) CHRM4PKMCHRM3HPGD
SCHEMBL5199137 0.78 SLC6A7 (0.46) SLC6A7RBP4CHRM4PKMADRB1
SCHEMBL2000938 0.75 GBA1 (0.35) PKMHPGDWHR1
SCHEMBL1997879 0.74 MAPK8 (0.42) PKMHPGD
SCHEMBL1997878 0.74 MAPK8 (0.42) PKMHPGD
SCHEMBL1999233 0.74 MAPK8 (0.42) PKMHPGD
SCHEMBL1998241 0.73 KDM4E (0.38) SLC6A7

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-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-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 (4 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 SLC6A7 4566/4885RBP4 341/4885CHRM4 2554/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 SLC6A7 3532/4885RBP4 730/4885CHRM4 4664/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 SLC6A7 1854/4885RBP4 457/4885CHRM4 710/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SLC6A7 4566/4885RBP4 341/4885CHRM4 2554/4885

“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.