SCHEMBL2008403

SCHEMBL2008403

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1C3 P42330 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
THRB P10828 1/20 0.33
PARP1 P09874 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.32
PTGES2 Q9H7Z7 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
SCHEMBL2008888 0.89 GAA (0.37) KAT6AGAAMAPTCES2CES1
SCHEMBL2006900 0.87 KAT6A (0.38) KAT6AGAAMAPTF2CA1
SCHEMBL2009835 0.86 KAT6A (0.35) KAT6AGAAMAPTCES2CES1
SCHEMBL2007834 0.86 KAT6A (0.35) KAT6AGAAMAPTF2CES2
SCHEMBL2014079 0.85 CA2 (0.39) KAT6AGAAMAPTCA1CA2
SCHEMBL2006956 0.85 KAT6A (0.37) KAT6AGAAMAPTCA1CA2
SCHEMBL2009833 0.85 NLRP3 (0.36) KAT6AGAAMAPTF2CA1
SCHEMBL2006932 0.85 AKR1C3 (0.37) KAT6AGAAMAPTF2AKR1C3
SCHEMBL2008660 0.84 HTT (0.34) KAT6AGAAMAPTF2PRSS1
SCHEMBL2008625 0.84 BTK (0.38) KAT6AGAAMAPTAKR1C3HDAC2

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 4 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
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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 KAT6A 3899/4885GAA 3409/4885MAPT 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.