Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1997574

CC(C)N1CCOc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.40
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
DRD3 P35462 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL2000758 0.92 HTR6 (0.45) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1997458 0.88 HTR6 (0.47) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1997492 0.85 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL1997431 0.80 HTR6 (0.46) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL1995846 0.79 HTR6 (0.54) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1996428 0.79 HTR6 (0.41) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1996894 0.77 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL1993437 0.77 HTR6 (0.49) HTR6DRD2HTR1AHTR2ADRD3
Trifluoroacetic Acid SCHEMBL1996241 0.77 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1999860 0.77 HTR6 (0.40) HTR6DRD2HTR1AHTR2AHDAC3

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 1/4885DRD2 96/4885HTR1A 3/4885

“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.