SCHEMBL2332824

SCHEMBL2332824

Oc1ccc(CCC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.59
ESR2 Q92731 3/20 0.59
CA2 P00918 1/20 0.52
ALDH1A1 P00352 3/20 0.50
ADRA2A P08913 3/20 0.50
SLC6A2 P23975 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTR1A P08908 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 1/20 0.48
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL28134403 0.88 ESR1 (0.56) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL11130634 0.87 TAAR1 (0.42) ESR1ESR2TAAR1
SCHEMBL9242943 0.82 ESR1 (0.54) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL9341098 0.79 ESR1 (0.50) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL4047436 0.78 TAAR1 (0.52) TAAR1TMEM97SIGMAR1PTGS1PTGS2
SCHEMBL22208921 0.77 ESR1 (0.48) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL11130550 0.76 TAAR1 (0.35) CA2ALDH1A1KDM4ETAAR1
SCHEMBL13499925 0.76 CYP1A2 (0.50) ALDH1A1TAAR1L3MBTL1KMT2ATDP1
SCHEMBL11059680 0.76 TAAR1 (0.50) ALDH1A1SLC6A2KDM4EHTR3ATAAR1
SCHEMBL11103061 0.76 TAAR1 (0.50) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 EP disclosed
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
WO-2013022099-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING SULFONE STRUCTURE 日産化学工業株式会社 (JP) 2013-02-14 WO disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
CN-102532496-A Fluorine-containing bisphenol aromatic polyester and preparation method thereof UNIV DONGHUA 2012-07-04 CN disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 WO disclosed
US-4476328-A ALKYLATION OF PHENOL WITH TRIFLUOROPROPENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-09 US disclosed
US-4451674-A Substituted benzene derivatives having at least one benzene ring substituted by 3,3,3-trifluoropropyl group and process for their production KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-05-29 US 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR1 739/4885ESR2 497/4885CA2 4115/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR1 739/4885ESR2 497/4885CA2 4115/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR1 644/4885ESR2 481/4885CA2 4139/4885

“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.