Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3537153

CN(C)CCCc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.38
WNT1 P04628 2/20 0.37
DYRK1A Q13627 2/20 0.37
TTK P33981 2/20 0.36
CDK2 P24941 2/20 0.36
APAF1 O14727 1/20 0.36
RAD52 P43351 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
S1PR4 O95977 3/20 0.34
S1PR1 P21453 3/20 0.34
S1PR5 Q9H228 2/20 0.34
HTR5A P47898 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CACNA1H O95180 1/20 0.33
SLC6A2 P23975 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
SCHEMBL3533331 0.92 SIGMAR1 (0.40) TTKL3MBTL1PARP1SIGMAR1SLC6A2
Trifluoroacetic Acid SCHEMBL3535178 0.87 TTK (0.39) TTKS1PR4S1PR1S1PR5
SCHEMBL3531911 0.86 HTR6 (0.44) TTKHTR5ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL3535087 0.85 HTR6 (0.44) TTKHTR5ASLC6A2HTR2A
Trifluoroacetic Acid SCHEMBL3535684 0.84 SLC6A2 (0.41) TTKS1PR4S1PR1S1PR5SIGMAR1
SCHEMBL3535689 0.84 TTK (0.35) TTKCDK2S1PR4S1PR1S1PR5
Trifluoroacetic Acid SCHEMBL3535200 0.81 GSK3B (0.36) CACNA1BDYRK1ATTKSIGMAR1SLC6A2
SCHEMBL3529918 0.80 TTK (0.39) TTK
SCHEMBL3535180 0.79 TTK (0.36) TTK
SCHEMBL3531978 0.79 CA2 (0.41) TTKSLC6A2

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO 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 CACNA1B 383/4885WNT1 1757/4885DYRK1A 1900/4885

“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.