Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1996217

CN1CCOc2ccc3c(cc(Cl)n3S(=O)(=O)c3ccccc3)c2C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.42
PKM P14618 4/20 0.40
PKLR P30613 3/20 0.40
NR1H3 Q13133 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
CNR1 P21554 2/20 0.36
USP9X Q93008 2/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2003562 0.92 HTR6 (0.48) HTR6PKMPKLRHTT
Trifluoroacetic Acid SCHEMBL1993971 0.88 HTR6 (0.42) HTR6PKMPKLRNR1H3CNR1
Trifluoroacetic Acid SCHEMBL1998967 0.87 HTR6 (0.41) HTR6PKMPKLRNR1H3CNR1
Trifluoroacetic Acid SCHEMBL1997490 0.87 HTR6 (0.41) HTR6PKMPKLRNR1H3CNR1
Trifluoroacetic Acid SCHEMBL1998956 0.86 HTR6 (0.40) HTR6PKMPKLRNR1H3CNR1
Trifluoroacetic Acid SCHEMBL1997458 0.83 HTR6 (0.47) HTR6PKMPKLRHDAC1HDAC8
SCHEMBL1997112 0.82 HTR6 (0.46) HTR6PKMPKLRCNR1USP9X
SCHEMBL1998969 0.81 HTR6 (0.40) HTR6PKMPKLRNR1H3CNR1
SCHEMBL1997493 0.81 HTR6 (0.40) HTR6PKMPKLRNR1H3CNR1
SCHEMBL1997011 0.81 HTR6 (0.45) HTR6PKMPKLRNR1H3CNR1

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-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885PKM 1287/4885PKLR 2231/4885

“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.