Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3377548

NCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
LMNA P02545 1/20 0.44
GABRA5 P31644 3/20 0.41
GABRB2 P47870 3/20 0.41
SLC6A1 P30531 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRR1 P24046 1/20 0.41
CPN1 P15169 2/20 0.40
CPB2 Q96IY4 2/20 0.40
TSHR P16473 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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 SCHEMBL3451505 0.89 SLC6A1 (0.52) PLGPLATLMNAGABRA5GABRB2
Trifluoroacetic Acid SCHEMBL13254840 0.87 GABRA5 (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Pivalate SCHEMBL28006783 0.85 PLG (0.44) PLGPLATLMNAGABRA5GABRB2
Trifluoroacetic Acid SCHEMBL13254839 0.81 GABRA5 (0.43) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL38661436 0.81 GABRA5 (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL23044797 0.79 GABRA5 (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL29890740 0.79 ITGB3 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL20494145 0.79 GABRA5 (0.53) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL29163766 0.79 GABRA5 (0.53) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL28325251 0.79 GABRA5 (0.53) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536731-A1 SUBSTITUTED SPIROINDOLINONES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP claimed
US-8288431-B2 Substituted spiroindolinones HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US claimed
EP-2536731-A1 SUBSTITUTED SPIROINDOLINONES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
US-8288431-B2 Substituted spiroindolinones HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 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 (2 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 PLG 4533/4885PLAT 2613/4885LMNA 4159/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 PLG 4446/4885PLAT 2678/4885LMNA 4114/4885

“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.