SCHEMBL493534

SCHEMBL493534

CN(COCCCO)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
SLC9A3 P48764 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GSTO1 P78417 2/20 0.30

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
SCHEMBL492882 0.82 ALDH1A1 (0.40) ACLYSLC9A3KDM4EALDH1A1L3MBTL1
SCHEMBL493606 0.72 ACLY (0.38) ACLYKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL493566 0.71 BDKRB1 (0.42) KDM4EALDH1A1L3MBTL1TDP1GSTO1
SCHEMBL3998000 0.69 ALDH1A1 (0.44) ACLYKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL642948 0.68 GAA (0.48) KDM4EALDH1A1L3MBTL1
SCHEMBL645268 0.68 MAPT (0.45) ACLYKDM4EL3MBTL1CYP1A2CYP3A4
SCHEMBL3993365 0.67 GSTO1 (0.42) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL644589 0.67 GAA (0.47) KDM4EALDH1A1L3MBTL1
SCHEMBL5130046 0.65 KDM4E (0.46) KDM4ETDP1
SCHEMBL11576786 0.63 FABP4 (0.47) ALDH1A1L3MBTL1PKMNPSR1GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (1 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ACLY 80/4885SLC9A3 2717/4885KDM4E 2178/4885

“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.