SCHEMBL4436227

SCHEMBL4436227

O=S(=O)(c1ccccc1C(F)(F)F)N1CCCCC1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
ALOX5AP P20292 4/20 0.46
FEN1 P39748 3/20 0.46
CHRM4 P08173 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNQ1 P51787 1/20 0.45
RORC P51449 1/20 0.44
GAA P10253 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL3441729 1.00 OPRM1 (0.54) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL3441949 0.89 KMT2A (0.54) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL4344983 0.87 HCRTR1 (0.52) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL3442125 0.83 HCRTR1 (0.51) KMT2AMEN1HCRTR1ALDH1A1MCOLN3
SCHEMBL702503 0.83 HCRTR1 (0.48) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL3446573 0.83 HCRTR1 (0.53) KMT2AMEN1HCRTR1ALDH1A1MCOLN3
SCHEMBL5394752 0.83 HCRTR1 (0.55) KMT2AMEN1HCRTR1BRD4BRD2
SCHEMBL3441492 0.82 HCRTR1 (0.48) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL699933 0.82 HCRTR1 (0.48) OPRM1OPRK1KMT2AMEN1HCRTR1
SCHEMBL3441809 0.82 HTR7 (0.46) OPRM1OPRK1KMT2AMEN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO 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
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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 (4 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 OPRM1 20/4885OPRK1 13/4885KMT2A 3631/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 OPRM1 2798/4885OPRK1 2548/4885KMT2A 1309/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 OPRM1 185/4885OPRK1 22/4885KMT2A 3136/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 OPRM1 133/4885OPRK1 19/4885KMT2A 2533/4885

“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.