SCHEMBL493246

SCHEMBL493246

O=C(O)COCCN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.36
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTGIR P43119 4/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
PTGDR Q13258 2/20 0.33
HDAC11 Q96DB2 1/20 0.33
HRH1 P35367 2/20 0.32
MAPK1 P28482 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL5125811 0.88 NR1H4 (0.42) TBXA2RCNR1NR1H4PTGIRHDAC6
SCHEMBL493994 0.84 STS (0.35) CNR1TDP1KDM4EMAPK1
SCHEMBL493215 0.81 MAPK1 (0.40) CNR1HDAC6HDAC8HDAC11MAPK1
SCHEMBL493566 0.81 BDKRB1 (0.42) TDP1KDM4E
SCHEMBL700120 0.80 NR1H4 (0.37) TBXA2RNR1H4PTGIR
SCHEMBL5118595 0.79 HTT (0.45) TBXA2RTDP1PTGIRPTGDRPTGER1
SCHEMBL2200190 0.77 BDKRB1 (0.52)
SCHEMBL5117999 0.77 BDKRB1 (0.42) TBXA2RTDP1NR1H4PTGIR
SCHEMBL492775 0.74 ALDH1A1 (0.37) KDM4EMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL5130046 0.74 KDM4E (0.46) TDP1KDM4E

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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 (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 TBXA2R 55/4885CNR1 45/4885TDP1 3893/4885

“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.