Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3136128

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)COc1ccccc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BACE1 P56817 2/20 0.49
ABCB11 O95342 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
MCHR1 Q99705 1/20 0.47
MAOB P27338 1/20 0.46
SLC6A12 P48065 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 1/20 0.45
DRD4 P21917 2/20 0.44

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
SCHEMBL3145609 0.95 MEN1 (0.54) NPSR1BCHEACHEMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3137027 0.88 MEN1 (0.47) BCHEACHEMEN1KMT2ABACE1
SCHEMBL3153887 0.84 MEN1 (0.50) BCHEACHEMEN1KMT2ABACE1
SCHEMBL3145251 0.84 SIGMAR1 (0.53) BCHEACHEMEN1KMT2ABACE1
Trifluoroacetic Acid SCHEMBL3150246 0.84 SIGMAR1 (0.45) BCHEACHEMEN1KMT2ABACE1
SCHEMBL4714274 0.83 ABCB11 (0.54) BCHEACHEMEN1KMT2ABACE1
Trifluoroacetic Acid SCHEMBL3145706 0.83 MGLL (0.43) BCHEACHEMEN1KMT2ABACE1
SCHEMBL3136342 0.81 ABCB11 (0.51) BCHEACHEMEN1KMT2ABACE1
Trifluoroacetic Acid SCHEMBL3149896 0.80 MEN1 (0.52) BCHEACHEMEN1KMT2ASIGMAR1
SCHEMBL3150391 0.79 BCHE (0.45) BCHEACHEMEN1KMT2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 NPSR1 566/4885BCHE 959/4885ACHE 3964/4885

“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.