SCHEMBL6523162

SCHEMBL6523162

CN(C)S(=O)(=O)N1CCCC(N)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL6523155 1.00 GAA (0.53) GAAALDH1A1KDM4ELMNATDP1
SCHEMBL15161308 0.80 GAA (0.48) GAAALDH1A1KDM4ELMNAMEN1
SCHEMBL12791416 0.79 GAA (0.55) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL969793 0.79 TSHR (0.47) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL14136794 0.79 TSHR (0.47) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8216463 0.79 TSHR (0.47) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL15630701 0.78 CA1 (0.48) ALDH1A1KMT2A
SCHEMBL30136653 0.78 CA1 (0.48) ALDH1A1KMT2A
SCHEMBL14136782 0.77 TSHR (0.44) GAAALDH1A1KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL928631 0.77 TSHR (0.46) GAAALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 GAA 3527/4885ALDH1A1 4659/4885KDM4E 602/4885

“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.