SCHEMBL426957

SCHEMBL426957

O=[C]NS(=O)(=O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
KAT6A Q92794 7/20 0.47
ALDH1A1 P00352 2/20 0.46
GBA1 P04062 1/20 0.45
EDNRA P25101 2/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EDNRB P24530 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
SLC22A12 Q96S37 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
SCHEMBL1028459 0.79 KAT6A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL424801 0.78 PKM (0.46) KAT6AALDH1A1GAAMAPT
SCHEMBL429955 0.77 POLB (0.48) KAT6AALDH1A1
SCHEMBL8779451 0.77 KAT6A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL424725 0.76 ALDH1A1 (0.50) ALDH1A1EDNRAGAAEDNRBSLC22A12
SCHEMBL113295 0.76 ALDH1A1 (0.46) KAT6AALDH1A1EDNRAKMT2AGAA
SCHEMBL1621373 0.75 ALDH1A1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL420408 0.75 GBA1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1767641 0.75 CA1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15973217 0.75 KAT6A (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 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 (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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 PSEN1 2004/4885PSEN2 2058/4885APH1B 3597/4885

“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.