SCHEMBL430046

SCHEMBL430046

O=CNS(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
EEF2K O00418 3/20 0.41
TRPV1 Q8NER1 1/20 0.36
AADAT Q8N5Z0 1/20 0.35
SOS1 Q07889 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
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
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL427702 0.80 PGR (0.51) GBA1KMT2ANFE2L2PGR
SCHEMBL423265 0.78 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL13623417 0.77 GBA1 (0.43) GBA1EEF2KTRPV1AADATSOS1
SCHEMBL426034 0.74 KMT2A (0.54) SOS1KMT2A
SCHEMBL10154279 0.73 SMN1; SMN2 (0.46) GBA1EEF2KTRPV1CA1CA2
SCHEMBL92828 0.70 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL422831 0.70 TSHR (0.60) PKMKMT2A
SCHEMBL430045 0.70 GBA1 (0.39) GBA1EEF2KTRPV1AADATSOS1
SCHEMBL10188350 0.70 TRPV1 (0.40) GBA1EEF2KTRPV1AADATSOS1
SCHEMBL429956 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.