SCHEMBL2001655

SCHEMBL2001655

CC(C)(C)N1C(=O)C(NCC(=O)O)=C(c2ccccc2)S1(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS2 P35354 1/20 0.33
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KLK7 P49862 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP1 P03956 1/20 0.31
GAA P10253 1/20 0.31
MMP12 P39900 1/20 0.31
RIPK1 Q13546 1/20 0.31
EGLN1 Q9GZT9 3/20 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
SCHEMBL2001656 0.87 NR1H2 (0.53) CDC25ANR1H2NR1H3CA12CA2
SCHEMBL1996988 0.82 MEN1 (0.39) NR1H2NR1H3KDM4EALDH1A1MEN1
SCHEMBL3507168 0.81 NR1H2 (0.49) CDC25ANR1H2NR1H3CA12CA2
SCHEMBL2006561 0.79 KMT2A (0.44) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL2001519 0.79 NR1H2 (0.39) NR1H2NR1H3CA12CA2CA9
SCHEMBL5308618 0.78 NR1H2 (0.36) NR1H2NR1H3CA12CA2CA9
SCHEMBL2000480 0.76 TSHR (0.45) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2001465 0.76 ABCB1 (0.39) NR1H2NR1H3KDM4EALDH1A1NPSR1
SCHEMBL2001082 0.75 ESR1 (0.40) NR1H2ALDH1A1LMNA
SCHEMBL2006275 0.75 KMT2A (0.39) CDC25ANR1H2NR1H3ALDH1A1MEN1

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 CDC25A 3498/4885NR1H2 1/4885NR1H3 2/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CDC25A 3498/4885NR1H2 1/4885NR1H3 2/4885

“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.