SCHEMBL2003193

SCHEMBL2003193

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
HCAR1 Q9BXC0 1/20 0.34
EEF2K O00418 3/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
KAT6A Q92794 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
SCHEMBL4598484 0.86 ALDH1A1 (0.37) LCKFYNALDH1A1HSD17B10TDP1
SCHEMBL890395 0.86 LCK (0.41) LCKFYNALDH1A1HSD17B10TDP1
SCHEMBL30525041 0.85 HCAR1 (0.52) CES2CES1HCAR1LCKFYN
SCHEMBL2009173 0.85 HCAR1 (0.52) CES2CES1HCAR1LCKFYN
SCHEMBL31401144 0.83 CES2 (0.39) CES2CES1HCAR1
SCHEMBL19900071 0.79 CA12 (0.43) ALDH1A1TDP1GAA
SCHEMBL114867 0.79 CES2 (0.62) CES2CES1HCAR1ALDH1A1
SCHEMBL2293145 0.79 CES2 (0.55) CES2CES1HCAR1ALDH1A1
SCHEMBL67496 0.79 ALDH1A1 (0.42) CES2CES1EEF2KALDH1A1HSD17B10
SCHEMBL5278000 0.78 TPMT (0.40) HCAR1LCKFYNALDH1A1HSD17B10

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 9 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-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
CN-101142193-B 1, 3-propanedione derivative or salt thereof ASTELLAS PHARMA INC 2010-12-29 CN disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
CN-101142193-A 1, 3-propanedione derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-03-12 CN disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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 3629/4885HCAR1 582/4885

“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.