SCHEMBL2005053

SCHEMBL2005053

N=C(CCC(=O)O)NS(=O)(=O)c1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KAT6A Q92794 1/20 0.35
MAPT P10636 1/20 0.35
AKR1C3 P42330 2/20 0.34
F2 P00734 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
EEF2K O00418 1/20 0.32
KMT2A Q03164 1/20 0.32
MEP1B Q16820 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 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
SCHEMBL2007834 0.90 KAT6A (0.35) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2006932 0.89 AKR1C3 (0.37) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2006900 0.87 KAT6A (0.38) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2007967 0.86 ALDH1A1 (0.38) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2009835 0.84 KAT6A (0.35) GAAKAT6AMAPTAKR1C3HDAC2
SCHEMBL2007993 0.84 MEP1B (0.43) GAAKAT6AAKR1C3F2TMPRSS6
SCHEMBL2008403 0.83 KAT6A (0.37) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2008888 0.83 GAA (0.37) GAAKAT6AMAPTAKR1C3POLB
SCHEMBL2008660 0.82 HTT (0.34) GAAKAT6AMAPTAKR1C3F2
SCHEMBL2006868 0.81 KAT6A (0.33) GAAKAT6AMAPTAKR1C3HTT

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
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR GAA 3409/4885KAT6A 3899/4885MAPT 4394/4885

“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.