Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1995689

COc1cc2c(ccn2S(=O)(=O)c2ccccc2Cl)c2c1OCCNC2C.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.39
FABP4 P15090 3/20 0.38
CYP3A4 P08684 1/20 0.36
MET P08581 1/20 0.32
BRD4 O60885 1/20 0.32
NR3C2 P08235 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL1995809 0.93 HTR6 (0.43) HTR6FABP4CYP3A4METBRD4
Trifluoroacetic Acid SCHEMBL1998592 0.92 CPT1A (0.33) HTR6FABP4CYP3A4
Trifluoroacetic Acid SCHEMBL1997134 0.92 FABP4 (0.38) HTR6FABP4BRD4NR3C2DRD2
Trifluoroacetic Acid SCHEMBL1994705 0.87 CPT2 (0.39) FABP4LMNATSHRHSD17B10
Trifluoroacetic Acid SCHEMBL2002913 0.86 HTR6 (0.37) HTR6FABP4DRD2DRD3
Trifluoroacetic Acid SCHEMBL1994435 0.84 HTR6 (0.44) HTR6FABP4CYP3A4METNR3C2
SCHEMBL1996300 0.84 HTR6 (0.35) HTR6TSHR
SCHEMBL1999130 0.84 FABP4 (0.37) HTR6FABP4BRD4DRD2DRD3
Trifluoroacetic Acid SCHEMBL4562899 0.83 CPT2 (0.31)
SCHEMBL1998930 0.83 HTR6 (0.48) HTR6CYP3A4DRD2DRD3

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-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
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885FABP4 1988/4885CYP3A4 381/4885

“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.