Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL312498

O=C(O)C(F)(F)F.O=S(=O)(c1ccccc1)n1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.59
SLC6A4 P31645 8/20 0.59
SLC6A3 Q01959 8/20 0.59
HTR6 P50406 10/20 0.48
DRD3 P35462 2/20 0.48
CYP3A4 P08684 1/20 0.44
DRD2 P14416 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42

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
SCHEMBL314139 0.93 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR6DRD3
Trifluoroacetic Acid SCHEMBL312300 0.85 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
SCHEMBL28790068 0.83 HTR6 (0.52) SLC6A2SLC6A4SLC6A3HTR6DRD3
SCHEMBL312004 0.80 HTR6 (0.51) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL10102903 0.79 HTR6 (0.52) SLC6A2SLC6A4SLC6A3HTR6DRD3
Trifluoroacetic Acid SCHEMBL313960 0.76 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3
SCHEMBL312121 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL27823451 0.75 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL312244 0.73 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3
SCHEMBL312904 0.72 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
CN-101977904-A Aminopiperidinyl derivatives and uses thereof HOFFMANN LA ROCHE 2011-02-16 CN disclosed
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B SLC6A2 8/4885SLC6A4 33/4885SLC6A3 28/4885

“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.