Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3535684

CC(C)NCCCc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ S1PR4 O95977 4/20 0.36
▸ S1PR1 P21453 4/20 0.36
▸ TTK P33981 3/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ HAT1 O14929 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ S1PR5 Q9H228 3/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HAO1 Q9UJM8 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL8239566 0.92 SLC6A2 (0.46) SLC6A2HTR2ATTKGSK3BSIGMAR1
Trifluoroacetic Acid SCHEMBL3535178 0.85 TTK (0.39) S1PR4S1PR1TTKS1PR5ALDH1A1
Trifluoroacetic Acid SCHEMBL3535200 0.85 GSK3B (0.36) SLC6A2HTR2ATTKGSK3BSIGMAR1
Trifluoroacetic Acid SCHEMBL3537153 0.84 CACNA1B (0.38) SLC6A2HTR2AS1PR4S1PR1TTK
SCHEMBL3535180 0.83 TTK (0.36) TTKGSK3BHAT1EP300NPC1
SCHEMBL3529918 0.80 TTK (0.39) TTKHAO1NAMPT
SCHEMBL3535689 0.80 TTK (0.35) S1PR4S1PR1TTKGSK3BS1PR5
SCHEMBL3533673 0.79 HTR6 (0.45) SLC6A2HTR2ASIGMAR1CYP2D6
SCHEMBL3531978 0.77 CA2 (0.41) SLC6A2TTKHAO1NAMPT
SCHEMBL3535448 0.77 HTR6 (0.45) SLC6A2HTR2ATTKGSK3BNPC1

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 SLC6A2 47/4885HTR2A 11/4885S1PR4 1018/4885

“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.