SCHEMBL2007472

SCHEMBL2007472

O=C(C(C(=O)c1cccc(S(=O)(=O)Cl)c1)=C1Nc2ccccc2N1)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KAT6A Q92794 6/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KCNK3 O14649 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
PTK2B Q14289 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL2014079 0.88 CA2 (0.39) CES2CES1KAT6AGAAMAPT
SCHEMBL12569697 0.88 CES2 (0.37) CES2CES1KAT6AGAAMAPT
SCHEMBL2004431 0.85 MEN1 (0.44) GAAMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2006932 0.83 AKR1C3 (0.37) KAT6AGAAMAPTALDH1A1
SCHEMBL2008888 0.83 GAA (0.37) CES2CES1KAT6AGAAMAPT
SCHEMBL2008403 0.83 KAT6A (0.37) CES2CES1KAT6AGAAMAPT
SCHEMBL2006956 0.83 KAT6A (0.37) CES2CES1KAT6AGAAMAPT
SCHEMBL2007834 0.82 KAT6A (0.35) CES2CES1KAT6AGAAUSP2
SCHEMBL4323510 0.82 CES2 (0.46) CES2CES1MEN1KMT2AKCNK3
SCHEMBL2007993 0.82 MEP1B (0.43) KAT6AGAAALDH1A1KMT2AKDM4E

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 CES2 4638/4885CES1 3629/4885KAT6A 3899/4885

“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.