Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3535200

O=C(O)C(F)(F)F.O=S(=O)(c1ccccc1)c1n[nH]c2ccc(CCCNC3CC3)cc12

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
GRIN2B Q13224 4/20 0.36
TTK P33981 1/20 0.35
HTR6 P50406 2/20 0.35
FKBP1A P62942 2/20 0.35
CCR2 P41597 1/20 0.35
DRD4 P21917 1/20 0.35
SLC2A1 P11166 1/20 0.34
GRIN1 Q05586 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
DYRK1A Q13627 1/20 0.34
CACNA1B Q00975 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3532424 0.93 HTR6 (0.39) GRIN2BTTKHTR6GRIN1SIGMAR1
Trifluoroacetic Acid SCHEMBL3535684 0.85 SLC6A2 (0.41) GSK3BTTKSIGMAR1SLC6A2HTR2A
Trifluoroacetic Acid SCHEMBL3535178 0.84 TTK (0.39) TTKHTR6
SCHEMBL3535180 0.82 TTK (0.36) GSK3BTTKNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3537153 0.81 CACNA1B (0.38) TTKSIGMAR1SLC6A2HTR2ADYRK1A
SCHEMBL3529918 0.77 TTK (0.39) TTKHTR6
SCHEMBL3534822 0.76 KDM4E (0.41) TTKHTR6SMN1; SMN2
SCHEMBL3531978 0.76 CA2 (0.41) TTKHTR6SLC6A2
SCHEMBL8239566 0.76 SLC6A2 (0.46) GSK3BTTKSIGMAR1SLC6A2HTR2A
SCHEMBL3532498 0.75 HTR6 (0.44) TTKHTR6SLC6A2

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A GSK3B 1894/4885GRIN2B 103/4885TTK 4270/4885

“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.