Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL712824

CC(C)Oc1ccc(-c2nc3cc(-c4ccccc4)cnc3[nH]2)c(OC(C)C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
DGAT1 O75907 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CBFB Q13951 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC2A1 P11166 1/20 0.36
PDE2A O00408 2/20 0.35
PTPN5 P54829 1/20 0.35
PDK2 Q15119 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
SGK1 O00141 1/20 0.35
PDPK1 O15530 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 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
Trifluoroacetic Acid SCHEMBL710810 0.93 MCL1 (0.41) MCL1
Trifluoroacetic Acid SCHEMBL711865 0.93 DGAT1 (0.38) MCL1DGAT1EGLN1CBFBHDAC3
SCHEMBL10206533 0.92 MCL1 (0.43) MCL1EGLN1CBFBHDAC3HDAC1
Trifluoroacetic Acid SCHEMBL711184 0.86 MCL1 (0.41) MCL1EGLN1
SCHEMBL10206519 0.84 CBFB (0.42) MCL1EGLN1CBFBHDAC3HDAC1
SCHEMBL10206529 0.84 MAPT (0.41) MCL1
Trifluoroacetic Acid SCHEMBL710782 0.83 MAPT (0.41) PDK2MAP4K4
Trifluoroacetic Acid SCHEMBL709514 0.82 MAPT (0.43) MCL1HDAC3HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL711950 0.80 CYP3A4 (0.39) MCL1CBFB
Trifluoroacetic Acid SCHEMBL710837 0.80 MAOB (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK MCL1 4054/4885DGAT1 3360/4885EGLN1 1480/4885

“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.