SCHEMBL430045

SCHEMBL430045

O=[C]NS(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
EEF2K O00418 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
SOS1 Q07889 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
AADAT Q8N5Z0 2/20 0.33
IDO1 P14902 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL426036 0.80 PSEN1 (0.49) GBA1CA1CA2PSEN1PSEN2
SCHEMBL423264 0.78 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL13623417 0.77 GBA1 (0.43) GBA1EEF2KTRPV1SOS1CA1
SCHEMBL426030 0.74 KMT2A (0.54) SOS1CA1CA2KMT2A
SCHEMBL10154279 0.73 SMN1; SMN2 (0.46) GBA1EEF2KTRPV1CA1CA2
SCHEMBL422830 0.70 TSHR (0.56) MMP1MMP2MMP9PKMKMT2A
SCHEMBL430046 0.70 GBA1 (0.42) GBA1EEF2KTRPV1SOS1CA1
SCHEMBL10188350 0.70 TRPV1 (0.40) GBA1EEF2KTRPV1SOS1CA1
SCHEMBL210772 0.68 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL429955 0.68 POLB (0.48)

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 GBA1 2856/4885EEF2K 1050/4885TRPV1 4369/4885

“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.