SCHEMBL4052745

SCHEMBL4052745

CN(C)S(=O)(=O)n1cc(-c2ccc(F)cc2)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.41
APP P05067 2/20 0.40
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL14263782 0.73 RAB9A (0.45) ALDH1A3APPRAB9ANPC1KDM4E
SCHEMBL4046417 0.72 MEN1 (0.40) APPSCN9AMEN1KMT2ARAB9A
SCHEMBL23459546 0.67 MAPT (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3747955 0.66 SMN1; SMN2 (0.43) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL7513475 0.65 TSHR (0.47) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL15033450 0.65 TSHR (0.47) ALDH1A3MEN1KMT2ARAB9ANPC1
SCHEMBL9521448 0.64 TSHR (0.46) ALDH1A3MEN1KMT2ARAB9ANPC1
SCHEMBL7519440 0.64 TSHR (0.46) ALDH1A3MEN1KMT2ARAB9ANPC1
SCHEMBL7509246 0.64 TSHR (0.46) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL7503519 0.63 TSHR (0.45) ALDH1A3MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 US disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 US disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A3 3111/4885APP 4/4885SCN9A 671/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A3 3240/4885APP 4/4885SCN9A 355/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A3 3240/4885APP 4/4885SCN9A 355/4885

“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.