SCHEMBL19828043

SCHEMBL19828043

CCc1cccc2c1COCC2NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.37
KDM1A O60341 2/20 0.37
REN P00797 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DRD2 P14416 4/20 0.36
KCNA3 P22001 1/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL19828045 0.85 GAA (0.46) GAAEPHX2KMT2AL3MBTL1MAOB
SCHEMBL19828044 0.82 GAA (0.43) GAAEPHX2KMT2AL3MBTL1MAOB
SCHEMBL19810431 0.82 P2RX7 (0.39)
SCHEMBL16809886 0.75 GAA (0.45) GAAEPHX2MAOBKDM1ANFKB1
SCHEMBL31187839 0.75 GAA (0.45) GAAEPHX2KMT2AL3MBTL1NFKB1
SCHEMBL29918940 0.75 GAA (0.45) GAAEPHX2MAOBKDM1ANFKB1
SCHEMBL30799332 0.74 GAA (0.52) GAAEPHX2KMT2AL3MBTL1MAOB
SCHEMBL31187872 0.73 PDE2A (0.54) GAAEPHX2L3MBTL1
SCHEMBL31136511 0.73 PDE2A (0.54) GAAEPHX2L3MBTL1
SCHEMBL31187892 0.73 PDE2A (0.54) GAAEPHX2L3MBTL1

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-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB GAA 88/4885EPHX2 373/4885KMT2A 2978/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB GAA 88/4885EPHX2 373/4885KMT2A 2978/4885

“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.