SCHEMBL702503

SCHEMBL702503

O=C(O)CCCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HTR7 P34969 6/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SFRP1 Q8N474 2/20 0.43
KCNQ1 P51787 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
HTR1D P28221 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL699952 0.88 HCRTR1 (0.50) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL4344983 0.87 HCRTR1 (0.52) HCRTR1KMT2AMEN1KCNQ1L3MBTL1
SCHEMBL3441809 0.84 HTR7 (0.46) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL5394752 0.83 HCRTR1 (0.55) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL3441729 0.83 OPRM1 (0.54) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL4436227 0.83 OPRM1 (0.54) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL3441492 0.82 HCRTR1 (0.48) HCRTR1KMT2AMEN1KCNQ1L3MBTL1
SCHEMBL699933 0.82 HCRTR1 (0.48) HCRTR1KMT2AMEN1KCNQ1L3MBTL1
SCHEMBL3441949 0.82 KMT2A (0.54) HCRTR1HTR7KMT2AMEN1KCNQ1
SCHEMBL699980 0.82 HTR7 (0.63) HCRTR1HTR7KMT2AMEN1HTR1D

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056919-B Substituted sulfonamide derivatives GRUENENTHAL GMBH 2014-03-12 CN 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-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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
CN-102056919-A Substituted sulfonamide derivatives GRUENENTHAL GMBH 2011-05-11 CN disclosed
US-20090264407-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
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 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
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 (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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 HCRTR1 369/4885HTR7 522/4885KMT2A 3631/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HCRTR1 4142/4885HTR7 2398/4885KMT2A 1309/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HCRTR1 750/4885HTR7 939/4885KMT2A 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.