Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5213690

NC(=O)c1ccc2c(c1)N(C(=O)Cc1cccnc1)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 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RIPK1 Q13546 2/20 0.39
CPB2 Q96IY4 1/20 0.38
ROCK1 Q13464 2/20 0.37
EIF2AK3 Q9NZJ5 3/20 0.37
EIF2AK1 Q9BQI3 2/20 0.37
LCK P06239 1/20 0.37
AURKB Q96GD4 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TPSAB1 Q15661 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
NPY2R P49146 1/20 0.35
STAT3 P40763 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 SCHEMBL5210778 0.94 RIPK1 (0.39) CYP11B1CYP11B2RIPK1ROCK1EIF2AK3
Trifluoroacetic Acid SCHEMBL5208180 0.94 RIPK1 (0.42) CYP11B1CYP11B2RIPK1CPB2ROCK1
Trifluoroacetic Acid SCHEMBL5210860 0.93 RIPK1 (0.42) CYP11B1CYP11B2RIPK1ROCK1EIF2AK3
SCHEMBL7426929 0.91 CYP11B1 (0.45) CYP11B1CYP11B2RIPK1ROCK1EIF2AK3
Trifluoroacetic Acid SCHEMBL5212450 0.91 RIPK1 (0.39) RIPK1CPB2ROCK1TSHRTPSAB1
Trifluoroacetic Acid SCHEMBL7433118 0.89 RIPK1 (0.39) CYP11B1CYP11B2RIPK1ROCK1EIF2AK3
Trifluoroacetic Acid SCHEMBL5211441 0.89 RIPK1 (0.38) RIPK1ROCK1TSHRTPSAB1ALDH1A1
Trifluoroacetic Acid SCHEMBL5210720 0.88 HSD17B3 (0.38) RIPK1TSHRTPSAB1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5213696 0.88 ROCK1 (0.39) CYP11B1CYP11B2RIPK1ROCK1ALDH1A1
Trifluoroacetic Acid SCHEMBL5210137 0.87 RIPK1 (0.37) RIPK1ROCK1TPSAB1ALDH1A1F2

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 CYP11B1 3377/4885CYP11B2 3672/4885RIPK1 1724/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 CYP11B1 2583/4885CYP11B2 3469/4885RIPK1 1933/4885

“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.