SCHEMBL4516047

SCHEMBL4516047

O=c1cc(C(F)(F)F)cco1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
PGR P06401 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 3/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNA3 P22001 2/20 0.35
KCNA5 P22460 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL17718796 0.77 ALDH1A1 (0.39) TSHRCA1CA9MAPK1HSD17B10
SCHEMBL30742413 0.69 MAOA (0.62) HSD17B10MAOAMAOBKDM4E
SCHEMBL28465411 0.69 MAOA (0.62) HSD17B10MAOAMAOBKDM4E
SCHEMBL17708944 0.69 MAOA (0.62) HSD17B10MAOAMAOBKCNA3KCNA5
SCHEMBL30395860 0.69 MAOA (0.62) HSD17B10MAOAMAOBKCNA3KCNA5
SCHEMBL20858618 0.65 EPM2A (0.45) PGRHSD17B10MAOAMAOBKDM4E
SCHEMBL827855 0.65 EPM2A (0.62) PGRMAOAMAOB
SCHEMBL9710248 0.65 CTRC (0.40) CES2PGRTSHRNOTUM
SCHEMBL1700927 0.64 MAPT (0.36) KDM4E
SCHEMBL1263945 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232416-A A method of synthesis 4- trifluoromethyl -2- pyranone/pyridinone compounds 福州大学 2019-01-18 CN claimed
CN-109232416-B Method for synthesizing 4-trifluoromethyl-2-pyrone/pyridone compound 福州大学 2021-09-24 CN disclosed
CN-109232416-B Method for synthesizing 4-trifluoromethyl-2-pyrone/pyridone compound 福州大学 2021-09-24 CN disclosed
CN-109232416-B Method for synthesizing 4-trifluoromethyl-2-pyrone/pyridone compound 福州大学 2021-09-24 CN disclosed
CN-109232416-A A method of synthesis 4- trifluoromethyl -2- pyranone/pyridinone compounds 福州大学 2019-01-18 CN disclosed
CN-109232416-A A method of synthesis 4- trifluoromethyl -2- pyranone/pyridinone compounds 福州大学 2019-01-18 CN disclosed
CN-109232416-A A method of synthesis 4- trifluoromethyl -2- pyranone/pyridinone compounds 福州大学 2019-01-18 CN disclosed
US-7488828-B2 Process for the preparation of 4-trifluoromethyl-2(1H)-pyridinone DOW AGROSCIENCES LLC (US) 2009-02-10 US disclosed
US-7488828-B2 Process for the preparation of 4-trifluoromethyl-2(1H)-pyridinone DOW AGROSCIENCES LLC (US) 2009-02-10 US disclosed
US-7488828-B2 Process for the preparation of 4-trifluoromethyl-2(1H)-pyridinone DOW AGROSCIENCES LLC (US) 2009-02-10 US disclosed
WO-2009006211-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 4-TRIFLUOROMETHYL-2(1H)-PYRIDINONE DOW AGROSCIENCES LLC (US) 2009-01-08 WO disclosed
US-20090005569-A1 PROCESS FOR THE PREPARATION OF 4-TRIFLUOROMETHYL-2(1H)-PYRIDINONE DOW AGROSCIENCES LLS (US) 2009-01-01 US disclosed
US-20090005569-A1 PROCESS FOR THE PREPARATION OF 4-TRIFLUOROMETHYL-2(1H)-PYRIDINONE DOW AGROSCIENCES LLS (US) 2009-01-01 US disclosed
WO-2006012320-A1 PROCESS FOR THE PREPARATION OF 4-TRIFLUOROMETHYL-2(1H)-PYRIDINONE DOW AGROSCIENCES LLC (US) 2006-02-02 WO disclosed
US-20050288511-A1 Process for the preparation of 4-trifluoromethyl-2(1H)-pyridinone CORTEVA AGRISCIENCE LLC 2005-12-29 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 (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-20050288511-A1 Process for the preparation of 4-trifluoromethyl-2(1H)-pyridinone PDXK, PFKFB1, PFKFB4 CES2 4153/4885NOS3 4062/4885NOS2 4454/4885
US-20090005569-A1 PROCESS FOR THE PREPARATION OF 4-TRIFLUOROMETHYL-2(1H)-PYRIDINONE CYP4F2, CYP4F3, CYP4F8 CES2 1450/4885NOS3 4621/4885NOS2 4426/4885

“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.