SCHEMBL4121025

SCHEMBL4121025

O=C(O)COCC1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
ACLY P53396 1/20 0.41
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 2/20 0.37
HTT P42858 1/20 0.37
PTGIR P43119 4/20 0.36
MAPT P10636 2/20 0.36
PTGDR Q13258 2/20 0.36
AKR1C3 P42330 2/20 0.36
SPR P35270 1/20 0.36
ATM Q13315 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL3812765 0.94 CNR1 (0.49) CNR1ACLYPTGIRPTGDRAKR1C3
SCHEMBL493650 0.82 CNR1 (0.48) CNR1ACLYTSHRNPSR1POLB
SCHEMBL5122673 0.81 CCR1 (0.45) ACLY
SCHEMBL4117203 0.81 TSHR (0.43) TSHRNPSR1POLBCYP19A1PTGIR
SCHEMBL5128284 0.80 CCR1 (0.48) CNR1TSHRPOLBHTTMAPT
SCHEMBL14033621 0.80 CNR1 (0.44) CNR1ACLYTSHRHTT
SCHEMBL4111241 0.80 CNR1 (0.43) CNR1ACLY
SCHEMBL3409702 0.77 SMN1; SMN2 (0.41) ACLYPOLBATM
SCHEMBL494593 0.77 CNR1 (0.50) CNR1ACLYPTGIRAKR1C3ATM
SCHEMBL493282 0.77 SMN1; SMN2 (0.40) CNR1ACLYPOLBMAPTATM

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 10 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-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 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-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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (3 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CNR1 6/4885ACLY 4105/4885TSHR 645/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR1 45/4885ACLY 80/4885TSHR 4051/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CNR1 672/4885ACLY 1027/4885TSHR 3282/4885

“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.