Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2379448

N#C[C@H]1CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
SLC6A12 P48065 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRR1 P24046 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL31601844 1.00 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A11SLC6A13
Trifluoroacetic Acid SCHEMBL2378662 1.00 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A11SLC6A13
Trifluoroacetic Acid SCHEMBL2377040 0.90 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13TSHRLMNA
Trifluoroacetic Acid SCHEMBL2394605 0.90 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13TSHRLMNA
Trifluoroacetic Acid SCHEMBL334563 0.89 GABRP (0.39) GABRA5GABRB2GABRA1GABRA4TSHR
Trifluoroacetic Acid SCHEMBL17500734 0.85 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL2571957 0.82 GABRA5 (0.36) SLC6A1GABRA5GABRB2SLC6A11SLC6A13
SCHEMBL1937488 0.80
SCHEMBL2223474 0.80
SCHEMBL325385 0.80

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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK SLC6A1 4859/4885GABRA5 1793/4885GABRB2 3132/4885

“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.