SCHEMBL492969

SCHEMBL492969

CN(CCOCC(=O)O)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MMP1 P03956 1/20 0.42

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
SCHEMBL10118594 0.90 MAPT (0.45) CA1CA2CA12CA4CA9
SCHEMBL5183679 0.84 NPSR1 (0.51) CA1CA2CA12CA4CA9
SCHEMBL5128119 0.82 ALDH1A1 (0.55) LMNAHTTGAASMN1; SMN2MEN1
SCHEMBL702409 0.82 GAA (0.58) CA1CA2CA12CA4CA9
SCHEMBL5184315 0.79 HDAC3 (0.48) CA1CA2CA12CA4CA9
SCHEMBL5131099 0.78 PKLR (0.54) HTTGAASMN1; SMN2ALDH1A1
SCHEMBL492626 0.76 LMNA (0.53) LMNANPSR1HTTGAASMN1; SMN2
SCHEMBL5128992 0.76 GBA1 (0.44) LMNAHTTGAASMN1; SMN2PTGDR2
SCHEMBL493500 0.76 LMNA (0.49) LMNAMAPTNPSR1TSHRHTT
SCHEMBL493253 0.76 BDKRB1 (0.56) LMNAMAPTHDAC3HDAC11HDAC8

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 11 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
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 CA1 1464/4885CA2 1012/4885CA12 2887/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CA1 2407/4885CA2 1075/4885CA12 2622/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CA1 1756/4885CA2 1192/4885CA12 872/4885

“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.