SCHEMBL494593

SCHEMBL494593

O=C(O)COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
ACLY P53396 3/20 0.43
FPR2 P25090 6/20 0.40
PROKR1 Q8TCW9 6/20 0.40
PTGIR P43119 2/20 0.39
EPHX2 P34913 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
AKR1C3 P42330 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL493650 0.93 CNR1 (0.48) CNR1ACLYPTGIRAKR1C3ATM
SCHEMBL5093760 0.85 TRPV4 (0.52) CNR1ACLYFPR2PROKR1EPHX2
SCHEMBL3812765 0.82 CNR1 (0.49) CNR1ACLYFPR2PROKR1PTGIR
SCHEMBL5088924 0.81 LMNA (0.50) CNR1PTGIR
SCHEMBL4119445 0.81 EPHX2 (0.49) EPHX2
SCHEMBL3828231 0.79 CCR1 (0.46) CNR1ACLYEPHX2
SCHEMBL3828071 0.78 EPHX2 (0.44) CNR1ACLYFPR2PROKR1EPHX2
SCHEMBL5132135 0.78 CCR1 (0.51) CNR1
SCHEMBL4111436 0.78 BDKRB1 (0.41) FPR2PROKR1PTGIREPHX2
SCHEMBL14033862 0.78 CNR1 (0.52) CNR1ACLYEPHX2AKR1C3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US 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 (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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR1 45/4885ACLY 80/4885FPR2 517/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CNR1 672/4885ACLY 1027/4885FPR2 1729/4885

“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.