Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5212837

NCCC(=O)NC(=O)c1ccc2c(c1)NCC2.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 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.36
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA2C P18825 1/20 0.32
CFD P00746 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
CPB2 Q96IY4 2/20 0.30
ROCK2 O75116 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKG1 Q13976 1/20 0.30
PKN2 Q16513 1/20 0.30

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
SCHEMBL7431168 0.91 ACHE (0.38) ACHEADRA2CCFDSMYD3ROCK2
Trifluoroacetic Acid SCHEMBL5213057 0.89 ACHE (0.34) ACHEHDAC11HDAC8HDAC6HTR2C
Trifluoroacetic Acid SCHEMBL5212873 0.89 ACHE (0.34) ACHEHDAC11HDAC8HDAC6HTR2C
Trifluoroacetic Acid SCHEMBL5210906 0.89 ACHE (0.39) ACHEHDAC11HDAC8HDAC6ADRA2C
Trifluoroacetic Acid SCHEMBL7431702 0.88 NAMPT (0.34) ACHEHDAC11HDAC8HDAC6HTR2C
Trifluoroacetic Acid SCHEMBL7424902 0.87 ACHE (0.34) ACHEHDAC11HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL7422801 0.87 ACHE (0.35) ACHEHTR2CADRA2CCFD
Trifluoroacetic Acid SCHEMBL7428691 0.85 CFD (0.43) ACHEHDAC8HDAC6HTR2CCFD
Trifluoroacetic Acid SCHEMBL7423644 0.84 ACHE (0.39) ACHEADRA2C
Trifluoroacetic Acid SCHEMBL5216054 0.84 ACHE (0.38) ACHEADRA2C

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
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 (1 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 ACHE 480/4885HDAC11 2018/4885HDAC8 3050/4885

“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.