Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5212450

NCC(=O)N1CCc2ccc(C(N)=O)cc21.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 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
ALDH1A1 P00352 1/20 0.36
ROCK1 Q13464 1/20 0.36
F2 P00734 2/20 0.34
F10 P00742 1/20 0.33
NPY2R P49146 1/20 0.33
CPB2 Q96IY4 2/20 0.33
ACHE P22303 2/20 0.33
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
FOLH1 Q04609 2/20 0.33
TPSAB1 Q15661 1/20 0.33
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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 0.95 RIPK1 (0.42) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5210860 0.95 RIPK1 (0.42) RIPK1ALDH1A1ROCK1F2F10
Hydrochloric Acid SCHEMBL5244756 0.94 ALDH1A1 (0.39) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5211441 0.94 RIPK1 (0.38) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5210720 0.92 HSD17B3 (0.38) RIPK1ALDH1A1NPY2RTPSAB1MAPT
Trifluoroacetic Acid SCHEMBL5211360 0.92 RIPK1 (0.37) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5210137 0.92 RIPK1 (0.37) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5215499 0.91 RIPK1 (0.38) RIPK1ALDH1A1ROCK1F2F10
Trifluoroacetic Acid SCHEMBL5210778 0.91 RIPK1 (0.39) RIPK1ALDH1A1ROCK1NPY2RACHE
Trifluoroacetic Acid SCHEMBL5215547 0.91 RIPK1 (0.36) RIPK1ROCK1F2F10ACHE

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 1724/4885ALDH1A1 2580/4885ROCK1 1847/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 RIPK1 1933/4885ALDH1A1 1335/4885ROCK1 1504/4885

“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.