SCHEMBL5128992

SCHEMBL5128992

CN(CCOCC(=O)O)S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
BDKRB1 P46663 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL493500 0.86 LMNA (0.49) ALDH1A1LMNAHTTGAAPTGDR2
SCHEMBL5128119 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHTTGAAKMT2A
SCHEMBL5121526 0.79 TBXA2R (0.39) ALDH1A1LMNAHTTPTGDR2BDKRB1
SCHEMBL5085798 0.78 HDAC3 (0.40) ALDH1A1LMNAHTTBDKRB1
SCHEMBL5132111 0.78 ALDH1A1 (0.45) ALDH1A1GAAPTGDR2BDKRB1KMT2A
SCHEMBL493230 0.78 PTGDR2 (0.49) ALDH1A1LMNAHTTGAAPTGDR2
SCHEMBL493487 0.77 KEAP1 (0.52) ALDH1A1LMNAHTT
SCHEMBL493489 0.76 PDE4D (0.50) ALDH1A1LMNAHTTGAAPTGDR2
SCHEMBL492969 0.76 CA1 (0.47) ALDH1A1LMNAHTTGAAPTGDR2
SCHEMBL5129996 0.76 BDKRB1 (0.35) ALDH1A1LMNAHTTPTGDR2BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809345-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 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-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 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 (1 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 GBA1 764/4885ALDH1A1 2737/4885LMNA 1324/4885

“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.