SCHEMBL4046417

SCHEMBL4046417

CN(C)S(=O)(=O)n1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.38
PTGS2 P35354 6/20 0.38
PTGS1 P23219 1/20 0.38
SCN9A Q15858 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR9 Q9NR96 1/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL7688500 0.85 TSHR (0.38) MEN1KMT2ATSHRPTGS2KDM4E
SCHEMBL2184244 0.84 TSHR (0.54) MEN1KMT2ATSHRKDM4EGAA
SCHEMBL2719936 0.82 MAPT (0.46) MEN1KMT2APTGS2PTGS1KDM4E
SCHEMBL7667658 0.80 ALDH1A1 (0.48) GAALMNANPSR1ALDH1A1STAT3
SCHEMBL3637203 0.72 JAK2 (0.48) MAPK1CLK4
SCHEMBL9436796 0.72 MEN1 (0.38) MEN1KMT2ATSHRKDM4EGAA
SCHEMBL4052745 0.72 ALDH1A3 (0.41) MEN1KMT2ATSHRPTGS2PTGS1
SCHEMBL23459546 0.71 MAPT (0.58) MEN1KMT2ATSHRGAALMNA
SCHEMBL9876018 0.70 ALPL (0.41) KDM4ELMNANPSR1ALDH1A1RAB9A
SCHEMBL2591258 0.70 GAA (0.49) KMT2ATSHRKDM4EGAALMNA

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 8 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
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 WO 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 MEN1 4269/4885KMT2A 3180/4885TSHR 4215/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MEN1 3626/4885KMT2A 3554/4885TSHR 3679/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MEN1 3626/4885KMT2A 3554/4885TSHR 3679/4885

“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.