SCHEMBL2002828

SCHEMBL2002828

CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
HIF1A Q16665 1/20 0.58
POLB P06746 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
VNN1 O95497 1/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL13290640 0.84 MAPT (0.60) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL2001318 0.83 GAA (0.59) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL12013064 0.83 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL23389249 0.82 CA1 (0.55) ALDH1A1HPGDKDM4EGAACA1
SCHEMBL12013065 0.82 MAPT (0.58) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL1683350 0.81 CA12 (0.64) MAPTCA12CA1CA2CA9
SCHEMBL9228347 0.80 BCL9 (0.59) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL12013069 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL4913978 0.78 EPHX2 (0.52) CA12CA1CA2CA9VNN1
SCHEMBL637737 0.76 GAA (0.52) ALDH1A1MAPTHPGDKDM4EGLA

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 ALDH1A1 2568/4885MAPT 2119/4885HPGD 1657/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885MAPT 2119/4885HPGD 1657/4885

“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.