Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL168257

CN(C)c1ccc(C(=O)NC2=CC(=O)C3OC3C2O)c(O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.43
KLKB1 P03952 1/20 0.41
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX1 P51575 2/20 0.32
P2RX4 Q99571 2/20 0.32
P2RX7 Q99572 2/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
KLK1 P06870 1/20 0.31

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
SCHEMBL169409 0.93 PARK7 (0.48) PARK7KLKB1MAOAMAOBALDH1A1
SCHEMBL168258 0.83 KLKB1 (0.39) PARK7KLKB1MAOAMAOBALDH1A1
SCHEMBL116427 0.81 PARK7 (0.48) PARK7MEN1KMT2AP2RX1P2RX4
SCHEMBL664248 0.80 PARK7 (0.50) PARK7ALDH1A1MEN1MAPTKMT2A
SCHEMBL666528 0.79 PARK7 (0.50) PARK7MEN1KMT2AKLK1NPC1
SCHEMBL665007 0.79 PARK7 (0.48) PARK7KLKB1ALDH1A1TDP1P2RX1
SCHEMBL665039 0.77 PARK7 (0.50) PARK7KLKB1MAPTP2RX1P2RX4
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.75 PARK7 (0.54) PARK7ALDH1A1MEN1MAPTKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.75 PARK7 (0.54) PARK7ALDH1A1MEN1MAPTKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.75 PARK7 (0.54) PARK7ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US claimed
EP-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 PARK7 3384/4885KLKB1 61/4885MAOA 1137/4885

“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.