Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4109083

COc1ccc(C(=O)c2ccc(OCc3ccc(Br)cc3F)nc2)c(OC(C)(C)C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.41
EPHX2 P34913 1/20 0.37
GAA P10253 2/20 0.37
MGLL Q99685 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TRPA1 O75762 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4109088 0.91 MTNR1B (0.40) MTNR1BEPHX2GAAPOLBNPC1
SCHEMBL4110229 0.87 MTNR1B (0.47) MTNR1BGAAMGLLPOLBNPC1
Trifluoroacetic Acid SCHEMBL4100244 0.86 MAPT (0.39) EPHX2GAAMGLLPOLBNPC1
Trifluoroacetic Acid SCHEMBL4102425 0.85 EPHX2 (0.42) EPHX2GAAMGLLPOLBNPC1
Trifluoroacetic Acid SCHEMBL4103434 0.84 PPARG (0.45) GAAPOLBNPC1PPARGPPARD
Trifluoroacetic Acid SCHEMBL4102682 0.82 PPARD (0.42) GAAPOLBNPC1PPARGPPARD
Trifluoroacetic Acid SCHEMBL4100117 0.82 NPC1 (0.38) POLBNPC1PPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL4103725 0.80 PPARA (0.40) GAAMGLLPOLBNPC1PPARG
Trifluoroacetic Acid SCHEMBL4099638 0.79 POLB (0.41) EPHX2GAAMGLLPOLBNPC1
Trifluoroacetic Acid SCHEMBL4097380 0.79 PPARA (0.43) PPARGPPARDPPARAPTGDR2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC MTNR1B 709/4885EPHX2 921/4885GAA 187/4885

“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.