SCHEMBL2001318

SCHEMBL2001318

CC(C)(C)OC(=O)NCCC(=O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GLA P06280 1/20 0.59
HIF1A Q16665 1/20 0.59
IDO1 P14902 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
MALT1 Q9UDY8 1/20 0.46
KMT2A Q03164 2/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14031520 0.87 HPGD (0.47) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL5849169 0.86 EPHX2 (0.50) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL13290640 0.86 MAPT (0.60) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL12013064 0.85 ALDH1A1 (0.59) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL9005791 0.85 ALDH1A1 (0.45) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL27840644 0.84 ALDH1A1 (0.58) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL27821332 0.84 ALDH1A1 (0.53) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL2002828 0.83 ALDH1A1 (0.58) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL12013065 0.83 MAPT (0.58) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL9228347 0.81 BCL9 (0.59) GAAALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 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
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP 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 GAA 2135/4885ALDH1A1 2568/4885MAPT 2119/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 GAA 2135/4885ALDH1A1 2568/4885MAPT 2119/4885

“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.