SCHEMBL1998091

SCHEMBL1998091

CC(NC(=O)CNC1=C(c2ccccc2)S(O)(O)N(C(C)(C)C)C1=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MME P08473 3/20 0.32
MMEL1 Q495T6 1/20 0.32
SDCBP O00560 3/20 0.32
SDC2 P34741 3/20 0.32
LTA4H P09960 1/20 0.32
ANPEP P15144 1/20 0.32
ECE1 P42892 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
SHMT1 P34896 2/20 0.31
SHMT2 P34897 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL1998086 0.89 NR1H2 (0.46) NR1H2NR1H3KMT2AMEN1TSHR
SCHEMBL2001655 0.84 CDC25A (0.41) NR1H2NR1H3KMT2AMEN1KDM4E
SCHEMBL2001519 0.83 NR1H2 (0.39) NR1H2NR1H3KMT2AMEN1TSHR
SCHEMBL1996988 0.75 MEN1 (0.39) NR1H2NR1H3KMT2AMEN1KDM4E
SCHEMBL3507168 0.73 NR1H2 (0.49) NR1H2NR1H3KDM4EEGLN1
SCHEMBL2000962 0.73 ALDH1A1 (0.38) KMT2AMEN1KDM4E
SCHEMBL2001656 0.72 NR1H2 (0.53) NR1H2NR1H3KDM4EEGLN1
SCHEMBL2006561 0.72 KMT2A (0.44) KMT2AMEN1
SCHEMBL3502994 0.72 NR1H2 (0.47) NR1H2NR1H3KMT2AMEN1TSHR
SCHEMBL2001521 0.71 NR1H2 (0.52) NR1H2NR1H3KMT2AMEN1TSHR

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2/4885KMT2A 2880/4885

“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.