SCHEMBL493650

SCHEMBL493650

O=C(O)COC1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
ACLY P53396 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 3/20 0.38
SPR P35270 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1C1 Q04828 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTGIR P43119 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
SCHEMBL494593 0.93 CNR1 (0.50) CNR1ACLYAKR1C3ATMPTGIR
SCHEMBL4121025 0.82 CNR1 (0.46) CNR1TSHRNPSR1POLBACLY
SCHEMBL4118636 0.80 ALDH1A1 (0.43) TSHRNPSR1POLBHTTAKR1C3
SCHEMBL5126115 0.79 EPHX2 (0.43) CNR1NPSR1ACLYSMN1; SMN2ALDH1A1
SCHEMBL4123581 0.79 NPSR1 (0.44) TSHRNPSR1POLBMAPTKMT2A
SCHEMBL5093760 0.78 TRPV4 (0.52) CNR1TSHRNPSR1POLBACLY
SCHEMBL5125471 0.78 CYP2C19 (0.57) TSHRHTTAKR1C3MAPTSMN1; SMN2
SCHEMBL3812765 0.78 CNR1 (0.49) CNR1ACLYAKR1C3ATMPTGIR
SCHEMBL492834 0.76 SMN1; SMN2 (0.42) CNR1POLBHTTATMSMN1; SMN2
SCHEMBL3410213 0.76 SMN1; SMN2 (0.42) CNR1POLBATMSMN1; SMN2KMT2A

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 13 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-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
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 6/4885TSHR 645/4885NPSR1 3/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR1 45/4885TSHR 4051/4885NPSR1 371/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CNR1 672/4885TSHR 3282/4885NPSR1 394/4885

“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.