SCHEMBL4424161

SCHEMBL4424161

CS(=O)(=O)c1ccc(OC2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.53
KAT2B Q92831 2/20 0.49
BAZ2B Q9UIF8 1/20 0.49
LMNA P02545 1/20 0.47
SYK P43405 1/20 0.44
PDE4D Q08499 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
APEX1 P27695 1/20 0.43
BRD4 O60885 1/20 0.42
TBK1 Q9UHD2 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
SCHEMBL15144072 0.93 BRD4 (0.49) SLC6A9KAT2BBAZ2BLMNASYK
SCHEMBL2824807 0.88 SLC6A9 (0.51) SLC6A9LMNAPDE4DPDE4APDE4B
SCHEMBL1811462 0.88 SLC6A9 (0.51) SLC6A9LMNAPDE4DPDE4APDE4B
SCHEMBL2826409 0.87 SLC6A9 (0.52) SLC6A9LMNASYKPDE4DPDE4A
SCHEMBL5041669 0.86 KAT2B (0.52) SLC6A9KAT2BBAZ2BSYKPDE4D
SCHEMBL5037704 0.83 KAT2B (0.46) SLC6A9KAT2BBAZ2BSYKPDE4D
SCHEMBL5038123 0.80 SLC6A9 (0.45) SLC6A9LMNAAPEX1BRD4
SCHEMBL25314851 0.79 KAT2B (0.50) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL30507985 0.79 KAT2B (0.50) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL1813772 0.77 LMNA (0.50) SLC6A9LMNA

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
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885KAT2B 1204/4885BAZ2B 1545/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885KAT2B 1204/4885BAZ2B 1545/4885

“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.