Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5212873

C[C@@H](N)C(=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 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
NAMPT P43490 3/20 0.32
SLC7A5 Q01650 1/20 0.32
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR2C P28335 1/20 0.31
OPRK1 P41145 1/20 0.30
AGTR2 P50052 1/20 0.30
F2 P00734 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
Trifluoroacetic Acid SCHEMBL5213057 1.00 ACHE (0.34) ACHENAMPTSLC7A5HDAC11HDAC8
Trifluoroacetic Acid SCHEMBL7424902 0.94 ACHE (0.34) ACHENAMPTSLC7A5HDAC11HDAC8
Trifluoroacetic Acid SCHEMBL7431702 0.92 NAMPT (0.34) ACHENAMPTSLC7A5HDAC11HDAC8
SCHEMBL7428225 0.91 ACHE (0.34) ACHENAMPTSLC7A5OPRK1
SCHEMBL7427153 0.91 ACHE (0.34) ACHENAMPTSLC7A5OPRK1
Trifluoroacetic Acid SCHEMBL5212837 0.89 ACHE (0.36) ACHEHDAC11HDAC8HDAC6HTR2C
Trifluoroacetic Acid SCHEMBL5210906 0.87 ACHE (0.39) ACHEHDAC11HDAC8HDAC6F2
Trifluoroacetic Acid SCHEMBL7422801 0.87 ACHE (0.35) ACHEHTR2COPRK1
SCHEMBL5215026 0.85 ACHE (0.31) ACHE
SCHEMBL7426885 0.85 ACHE (0.35) ACHENAMPTSLC7A5OPRK1

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 ACHE 480/4885NAMPT 2547/4885SLC7A5 3053/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ACHE 1165/4885NAMPT 3096/4885SLC7A5 2307/4885

“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.