Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5214210

CC(=O)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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.40
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KLKB1 P03952 1/20 0.36
TP53 P04637 1/20 0.35
NPY2R P49146 1/20 0.34
F10 P00742 2/20 0.34
MAPT P10636 1/20 0.34
HTR2C P28335 1/20 0.33
TPSAB1 Q15661 1/20 0.33
FOLH1 Q04609 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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 SCHEMBL5210860 0.93 RIPK1 (0.42) ROCK1RIPK1ALDH1A1NPY2RF10
Trifluoroacetic Acid SCHEMBL5208180 0.92 RIPK1 (0.42) ROCK1RIPK1ALDH1A1NPY2RF10
Trifluoroacetic Acid SCHEMBL5212782 0.92 RIPK1 (0.36) ROCK1RIPK1ALDH1A1KLKB1TP53
Trifluoroacetic Acid SCHEMBL5213696 0.89 ROCK1 (0.39) ROCK1RIPK1ALDH1A1TP53F10
Trifluoroacetic Acid SCHEMBL5210778 0.88 RIPK1 (0.39) ROCK1RIPK1ALDH1A1NPY2RFOLH1
Trifluoroacetic Acid SCHEMBL5211441 0.88 RIPK1 (0.38) ROCK1RIPK1ALDH1A1TP53F10
Trifluoroacetic Acid SCHEMBL5210720 0.88 HSD17B3 (0.38) RIPK1ALDH1A1NPY2RMAPTTPSAB1
Trifluoroacetic Acid SCHEMBL5212450 0.88 RIPK1 (0.39) ROCK1RIPK1ALDH1A1TP53NPY2R
Trifluoroacetic Acid SCHEMBL7425564 0.88 RIPK1 (0.36) ROCK1RIPK1ALDH1A1TP53NPY2R
Trifluoroacetic Acid SCHEMBL5210137 0.88 RIPK1 (0.37) ROCK1RIPK1ALDH1A1TP53F10

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 ROCK1 1847/4885RIPK1 1724/4885ALDH1A1 2580/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ROCK1 1504/4885RIPK1 1933/4885ALDH1A1 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.