Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5210860

NCc1ccc(CC(=O)N2CCc3ccc(C(N)=O)cc32)cc1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
ROCK1 Q13464 5/20 0.41
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 3/20 0.35
F10 P00742 2/20 0.34
EIF2AK1 Q9BQI3 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
NPY2R P49146 1/20 0.34
ROCK2 O75116 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 SCHEMBL5208180 0.99 RIPK1 (0.42) RIPK1ROCK1ALDH1A1FOLH1CYP11B1
Trifluoroacetic Acid SCHEMBL5210778 0.95 RIPK1 (0.39) RIPK1ROCK1ALDH1A1FOLH1CYP11B1
Trifluoroacetic Acid SCHEMBL5212450 0.95 RIPK1 (0.39) RIPK1ROCK1ALDH1A1FOLH1MAPT
Trifluoroacetic Acid SCHEMBL5213696 0.94 ROCK1 (0.39) RIPK1ROCK1ALDH1A1FOLH1CYP11B1
Trifluoroacetic Acid SCHEMBL5211441 0.93 RIPK1 (0.38) RIPK1ROCK1ALDH1A1POLBF2
Trifluoroacetic Acid SCHEMBL5214210 0.93 ROCK1 (0.40) RIPK1ROCK1ALDH1A1FOLH1MAPT
Trifluoroacetic Acid SCHEMBL5213690 0.93 CYP11B1 (0.41) RIPK1ROCK1ALDH1A1CYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL5210720 0.92 HSD17B3 (0.38) RIPK1ALDH1A1MAPTNPY2R
Trifluoroacetic Acid SCHEMBL5210137 0.91 RIPK1 (0.37) RIPK1ROCK1ALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL5211360 0.91 RIPK1 (0.37) RIPK1ROCK1ALDH1A1F2F10

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-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 RIPK1 1724/4885ROCK1 1847/4885ALDH1A1 2580/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 RIPK1 1933/4885ROCK1 1504/4885ALDH1A1 1335/4885

“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.