Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5210778

NC(=O)c1ccc2c(c1)N(C(=O)Cc1ccncc1)CC2.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 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
ROCK1 Q13464 5/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EIF2AK3 Q9NZJ5 4/20 0.36
EIF2AK1 Q9BQI3 2/20 0.35
ACHE P22303 1/20 0.35
ROCK2 O75116 2/20 0.35
LCK P06239 1/20 0.34
AURKB Q96GD4 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
FOLH1 Q04609 1/20 0.33
NPY2R P49146 1/20 0.33

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 SCHEMBL7433118 0.96 RIPK1 (0.39) RIPK1ROCK1CYP11B1CYP11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5208180 0.96 RIPK1 (0.42) RIPK1ROCK1CYP11B1CYP11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5210860 0.95 RIPK1 (0.42) RIPK1ROCK1CYP11B1CYP11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5213690 0.94 CYP11B1 (0.41) RIPK1ROCK1CYP11B1CYP11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5212450 0.91 RIPK1 (0.39) RIPK1ROCK1ALDH1A1ACHEFOLH1
Trifluoroacetic Acid SCHEMBL5211441 0.90 RIPK1 (0.38) RIPK1ROCK1ALDH1A1
Trifluoroacetic Acid SCHEMBL5213696 0.90 ROCK1 (0.39) RIPK1ROCK1CYP11B1CYP11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5214210 0.88 ROCK1 (0.40) RIPK1ROCK1ALDH1A1FOLH1NPY2R
Trifluoroacetic Acid SCHEMBL5210720 0.88 HSD17B3 (0.38) RIPK1ALDH1A1NPY2R
Trifluoroacetic Acid SCHEMBL5210137 0.88 RIPK1 (0.37) RIPK1ROCK1ALDH1A1

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 7 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
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (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 1847/4885CYP11B1 3377/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 RIPK1 1933/4885ROCK1 1504/4885CYP11B1 2583/4885

“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.