SCHEMBL14855834

SCHEMBL14855834

O=C1NCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
ALOX5AP P20292 7/20 0.48
FEN1 P39748 6/20 0.48
BACE1 P56817 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
HTR6 P50406 2/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAP2K4 P45985 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL15153496 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855917 0.87 ALOX5AP (0.44) ALOX5APFEN1BACE1HCRTR2RB1
SCHEMBL14855916 0.87 ALOX5AP (0.44) ALOX5APFEN1BACE1HCRTR2RB1
SCHEMBL23513488 0.85 ALOX5AP (0.46) ALOX5APFEN1BACE1HTR6
SCHEMBL14855409 0.84 SMN1; SMN2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855801 0.84 SMN1; SMN2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855604 0.84 RB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855603 0.84 RB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1873720 0.84 BACE1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1876455 0.84 BACE1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US claimed
EP-2580197-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP claimed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO claimed
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US disclosed
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US disclosed
EP-2580197-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO disclosed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 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 (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-20130203734-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B PSEN1 2598/4885PSEN2 2177/4885APH1B 2104/4885

“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.