SCHEMBL5604100

SCHEMBL5604100

CCC(=O)C(F)(F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
FAAH O00519 8/20 0.36
CES1 P23141 6/20 0.34
CES2 O00748 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
ACLY P53396 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL16207954 0.79 FFAR3 (0.43) FFAR3FAAHCES1CES2MEN1
SCHEMBL9770794 0.78 TDP1 (0.40) FFAR3FAAHCES1CES2MEN1
SCHEMBL9816252 0.76 FAAH (0.34) FFAR3FAAHCES1CES2MEN1
SCHEMBL6902350 0.76 FFAR3 (0.38) FFAR3FAAHCES1CES2MEN1
SCHEMBL1059264 0.74 ACLY (0.32) CES1ALDH1A1ACLY
SCHEMBL2468707 0.74 FAAH (0.33) FFAR3FAAHCES1CES2MEN1
SCHEMBL458908 0.73
SCHEMBL8691775 0.72 TSHR (0.40) CES1ALDH1A1TSHRACLYHIF1A
SCHEMBL5146280 0.72 FAAH (0.67) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6117118 0.72 FFAR3 (0.35) FFAR3FAAHCES1CES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571854-B1 METHOD FOR MANUFACTURING 1-ALKYL-3-DIFLUORMETHYL-5-HYDROXYPYRAZOLES BAYER IP GMBH (DE) 2014-11-05 EP claimed
EP-1362842-B1 PROCESS FOR PRODUCING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER TOSOH F TECH INC (JP) 2007-03-14 EP disclosed
US-7019162-B2 Vapor phase fluorination of an oxocarboxylic ester TOSOH F-TECH, INC. (JP) 2006-03-28 US disclosed
US-20040054217-A1 Process for preparing 2-fluoro-3-oxoalkylcarboxylic acid ester TOSOH F-TECH, INC. (JP) 2004-03-18 US disclosed
EP-1362842-A1 PROCESS FOR PRODUCING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER Tosoh F-Tech, Inc. (JP) 2003-11-19 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-20040054217-A1 Process for preparing 2-fluoro-3-oxoalkylcarboxylic acid ester PFAS, ALKBH3, FTO FFAR3 15/4885FAAH 109/4885CES1 475/4885

“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.