Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL13387652

CC(NC(=O)C(CCCCN)NC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n[nH]2)n[nH]1)C1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.40
▸ MAPK14 Q16539 6/20 0.35
▸ DDR1 Q08345 5/20 0.35
▸ DDR2 Q16832 5/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACE P12821 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CTSH P09668 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ CTSV O60911 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSF Q9UBX1 1/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 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
SCHEMBL13388282 0.82 MAPK1 (0.41) CA12CA1CA9CA2MAPK1
SCHEMBL13388276 0.81 MAPK1 (0.38) MAPK1
SCHEMBL15095587 0.77 CHRNA1 (0.34) CPB2MAPK14DDR1DDR2CA1
Trifluoroacetic Acid SCHEMBL1907045 0.74 SSTR3 (0.34) CA12CA1CA9CA2
SCHEMBL13388273 0.72 FURIN (0.31) —
SCHEMBL13387617 0.72 MAPK1 (0.36) MAPK1
SCHEMBL13387620 0.66 SMN1; SMN2 (0.44) CA12
SCHEMBL15095584 0.66 CPB2 (0.65) CPB2CA12CA1CA9CA2
SCHEMBL1906671 0.64 HDAC3 (0.38) CA1CA2MAPK1
SCHEMBL13256448 0.64 CCNA2 (0.53) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481494-B2 Compounds for the treatment of diseases related to protein misfolding UNIVERSITAT DUISBURG-ESSEN (DE) 2013-07-09 — — US disclosed
US-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING UNIVERSITAT DUISBURG-ESSEN (DE) 2012-10-25 — — 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 (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-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING APP, PRNP, PSEN1 CPB2 2671/4885MAPK14 1375/4885DDR1 4494/4885

“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.

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