SCHEMBL4064938

SCHEMBL4064938

CCCS(=O)(=O)NC1CCC(CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAOA P21397 1/20 0.34
KDR P35968 1/20 0.34
SMYD3 Q9H7B4 2/20 0.33

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
SCHEMBL30327432 0.87 CA12 (0.39) DRD2HTR2ADRD3JAK1CA12
SCHEMBL1679032 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29652939 0.81 SMYD3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24286326 0.79 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8391325 0.79 CA1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12017941 0.77 CA12 (0.41) HTR1ADRD2HTR2ADRD3CA12
SCHEMBL8237882 0.77 CA1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17507854 0.77 CA12 (0.41) HTR1ADRD2HTR2ADRD3CA12
SCHEMBL5331586 0.77 TDP1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1678264 0.75 PSEN1 (0.49) 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-2009035855-A2 NOVEL USES OF HALOGENATED ALKYL SULFONAMIDES H. LUNDBECK A/S (DK) 2009-03-19 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 PSEN1 4341/4885PSEN2 4288/4885APH1B 4797/4885
US-20060293341-A1 Alkyl sulfonamide derivatives NPY5R, NPY1R, NPY4R PSEN1 2924/4885PSEN2 2922/4885APH1B 4233/4885

“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.