SCHEMBL424802

SCHEMBL424802

O=CNS(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.46
SLC40A1 Q9NP59 2/20 0.45
PKLR P30613 7/20 0.42
PTGES2 Q9H7Z7 2/20 0.36
BRD4 O60885 1/20 0.35
ERN1 O75460 1/20 0.35
IKBKB O14920 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KAT6A Q92794 1/20 0.33

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
SCHEMBL426958 0.78 KAT6A (0.47) GAAALDH1A1KAT6A
SCHEMBL8224040 0.74 CA1 (0.54) PKMSLC40A1PKLR
SCHEMBL15116336 0.74 PKM (0.49) PKMSLC40A1PKLRBRD4GAA
SCHEMBL420075 0.74 PKM (0.49) PKMSLC40A1PKLRPTGES2BRD4
SCHEMBL7595736 0.71 SLC40A1 (0.61) PKMSLC40A1PTGES2BRD4
SCHEMBL424801 0.71 PKM (0.46) PKMSLC40A1PKLRPTGES2BRD4
SCHEMBL427702 0.71 PGR (0.51) GAAALDH1A1KAT6A
SCHEMBL96565 0.69 PKM (0.66) PKMSLC40A1PKLRBRD4GAA
SCHEMBL9863745 0.69 PKM (0.43) PKMSLC40A1PKLRALDH1A1
SCHEMBL24429357 0.69 MAPT (0.50) PKMSLC40A1PKLRALDH1A1

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 PKM 2769/4885SLC40A1 3133/4885PKLR 3246/4885

“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.