SCHEMBL2004758

SCHEMBL2004758

CC(C)(C)N1C(=O)C(NCCSC2CCN(C(=O)O)C2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 3/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
GCGR P47871 1/20 0.31
LMNA P02545 2/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL2004761 0.91 NR1H2 (0.45) NR1H2NR1H3ALDH1A1GAARAB9A
SCHEMBL1995776 0.82 USP30 (0.43) NR1H2NR1H3USP30KEAP1NFE2L2
SCHEMBL2001799 0.81 NR1H2 (0.36) NR1H2NR1H3GCGR
SCHEMBL2004349 0.78 NR1H2 (0.40) NR1H2NR1H3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1996473 0.74 NAMPT (0.39) USP30KDM4EPKM
SCHEMBL2001655 0.73 CDC25A (0.41) NR1H2NR1H3ALDH1A1GAAKDM4E
SCHEMBL2001032 0.72 ALDH1A1 (0.47) ALDH1A1RAB9AUSP30MAPK1KDM4E
SCHEMBL1999234 0.71 NR1H2 (0.45) NR1H2NR1H3ALDH1A1GAARAB9A
SCHEMBL2007867 0.70 NR1H2 (0.46) NR1H2NR1H3GCGR
SCHEMBL5308618 0.70 NR1H2 (0.36) NR1H2NR1H3ALDH1A1RAB9AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 2/4885ALDH1A1 2568/4885
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 2/4885ALDH1A1 2568/4885

“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.