SCHEMBL14855409

SCHEMBL14855409

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR6 P50406 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
MCOLN2 Q8IZK6 1/20 0.42

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
SCHEMBL14855801 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2MMP1MMP2
SCHEMBL14855724 0.85 PSEN1 (0.45) SMN1; SMN2MMP2MMP9LMNAHTR6
SCHEMBL14855725 0.85 PSEN1 (0.45) SMN1; SMN2MMP2MMP9LMNAHTR6
SCHEMBL15153496 0.84 PSEN1 (0.49) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL14855834 0.84 PSEN1 (0.49) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL23513488 0.81 ALOX5AP (0.46) SMN1; SMN2CA1CA2LMNAHTR6
SCHEMBL5562430 0.81 PSEN1 (0.49) SMN1; SMN2MMP2MMP9LMNAPSEN1
SCHEMBL5562435 0.81 PSEN1 (0.49) SMN1; SMN2MMP2MMP9LMNAPSEN1
SCHEMBL1876455 0.81 BACE1 (0.47) SMN1; SMN2MMP2MMP9MMP13NPSR1
SCHEMBL1873720 0.81 BACE1 (0.47) SMN1; SMN2MMP2MMP9MMP13NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 3217/4885CA1 3585/4885CA2 1579/4885

“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.