Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3033032

Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3ccccc3)c2F)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 4/20 0.36
F3 P13726 1/20 0.36
F2 P00734 1/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTGES O14684 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
RHEB Q15382 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 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
SCHEMBL3032849 0.95 MAPK8 (0.40) MAPK8ALDH1A1TDP1L3MBTL1P2RX7
Trifluoroacetic Acid SCHEMBL3023115 0.88 CYP1A2 (0.37) MAPK8ALDH1A1L3MBTL1P2RX7F3
Trifluoroacetic Acid SCHEMBL13560603 0.85 CYP3A4 (0.42) ALDH1A1P2RX7PTGES
Trifluoroacetic Acid SCHEMBL3023663 0.85 CYP3A4 (0.42) P2RX7F3F2PKMMAPK1
SCHEMBL13982264 0.85 POLB (0.37) P2RX7PTGESPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL3035887 0.84 CYP3A4 (0.41) F3PKMMAPK1SMN1; SMN2PPARG
Trifluoroacetic Acid SCHEMBL3017399 0.83 CYP3A4 (0.40) F3PKMMAPK1PTGESSMN1; SMN2
SCHEMBL3806168 0.83 CYP3A4 (0.42) PKMMAPK1PTGESSMN1; SMN2PPARG
SCHEMBL13217563 0.82 PKM (0.40) MAPK8ALDH1A1TDP1L3MBTL1P2RX7
SCHEMBL13982436 0.82 PTGES (0.38) P2RX7F2PTGES

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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 (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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MAPK8 2972/4885ALDH1A1 348/4885TDP1 243/4885

“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.