SCHEMBL2946902

SCHEMBL2946902

O=C(O)CCc1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
PPARG P37231 5/20 0.40
KEAP1 Q14145 1/20 0.40
PTPRB P23467 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
PTEN P60484 1/20 0.38
PTPMT1 Q8WUK0 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL2947464 0.86 CES2 (0.40) GPR52CES2CES1
SCHEMBL2945431 0.85 CES2 (0.39) GPR52CES2CES1
SCHEMBL4323510 0.83 CES2 (0.46) CES2CES1
SCHEMBL2942825 0.80 ALDH1A1 (0.42) CES2CES1
SCHEMBL2944822 0.80 CES2 (0.47) GPR52CES2CES1
SCHEMBL2944394 0.78 CES2 (0.41) CES2CES1
Hydrochloric Acid SCHEMBL4325850 0.77 PBRM1 (0.41) CES2CES1
SCHEMBL2947028 0.76 UNG (0.43) CES2CES1
SCHEMBL2005053 0.76 GAA (0.35)
SCHEMBL2007993 0.75 MEP1B (0.43)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 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 (2 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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR FFAR1 134/4885PPARG 646/4885KEAP1 1267/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR FFAR1 197/4885PPARG 507/4885KEAP1 1551/4885

“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.