SCHEMBL2014079

SCHEMBL2014079

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.39
CA1 P00915 12/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 7/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CA6 P23280 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
NPC1 O15118 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CA4 P22748 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL2007472 0.88 CES2 (0.38) CES2CES1MEN1KMT2AMAPT
SCHEMBL2008403 0.85 KAT6A (0.37) CA2CA1CES2CES1MAPT
SCHEMBL2004431 0.85 MEN1 (0.44) NPC1MEN1KMT2AMAPTGAA
SCHEMBL2008888 0.83 GAA (0.37) CES2CES1KMT2AMAPTGAA
SCHEMBL2006956 0.83 KAT6A (0.37) CA2CA1CES2CES1MAPT
SCHEMBL2007836 0.82 F2 (0.40) CES2CES1KMT2AMAPTGAA
SCHEMBL2009836 0.82 F2 (0.40) CA2CA1CES2CES1KMT2A
SCHEMBL4323510 0.82 CES2 (0.46) CES2CES1MEN1KMT2A
SCHEMBL2007993 0.82 MEP1B (0.43) KMT2AGAAKAT6A
Hydrochloric Acid SCHEMBL4325850 0.81 PBRM1 (0.41) CES2CES1NPC1CCNA2CDK2

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 CA2 289/4885CA1 1627/4885CA9 1937/4885

“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.