SCHEMBL5331586

SCHEMBL5331586

CCCS(=O)(=O)NC1CCC(CNC(N)=S)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4377598 0.78 TDP1 (0.40) TDP1
SCHEMBL1679032 0.78 PSEN1 (0.46) HTR1ADRD2HTR2ADRD3PSEN1
SCHEMBL4064938 0.77 PSEN1 (0.39) HTR1ADRD2HTR2ADRD3PSEN1
SCHEMBL5530336 0.74 ALDH1A1 (0.48)
SCHEMBL1960773 0.74
SCHEMBL29652939 0.73 SMYD3 (0.46) HTR1ADRD2HTR2ADRD3PSEN1
SCHEMBL24286326 0.71 ALDH1A1 (0.44) HTR1ADRD2HTR2ADRD3PSEN1
SCHEMBL23573233 0.71 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5130918 0.71 TDP1 (0.44) TDP1DRD2HTR2ADRD3
SCHEMBL8391325 0.70 CA1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007103295-A2 HALOGENATED SULFONAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2007-09-13 WO disclosed
US-20070213376-A1 Halogenated sulfonamide derivatives H. LUNDBECK A/S (DK) 2007-09-13 US disclosed
WO-2007002126-A1 ALKYL SULFONAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2007-01-04 WO disclosed
US-20060293341-A1 Alkyl sulfonamide derivatives H. LUNDBECK A/S (DK) 2006-12-28 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 (2 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-20070213376-A1 Halogenated sulfonamide derivatives NPY5R, NPY2R, SSTR5 TDP1 3232/4885HTR1A 102/4885DRD2 534/4885
US-20060293341-A1 Alkyl sulfonamide derivatives NPY5R, NPY1R, NPY4R TDP1 2989/4885HTR1A 63/4885DRD2 849/4885

“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.