Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3535178

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.39
HTR6 P50406 3/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 2/20 0.36
HAO1 Q9UJM8 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3532498 0.92 HTR6 (0.44) TTKHTR6CYP1A2CYP2D6CYP2C19
SCHEMBL3532214 0.88 HTR6 (0.43) TTKHTR6CYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL3537153 0.87 CACNA1B (0.38) TTKS1PR4S1PR1S1PR5
Hydrochloric Acid SCHEMBL3530580 0.87 HTR6 (0.42) TTKHTR6CYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL3535684 0.85 SLC6A2 (0.41) TTKS1PR4S1PR1S1PR5HAO1
SCHEMBL4636341 0.85 HTR6 (0.52) TTKHTR6CA12CA1CA2
Trifluoroacetic Acid SCHEMBL3535200 0.84 GSK3B (0.36) TTKHTR6
SCHEMBL3529918 0.82 TTK (0.39) TTKHTR6CA2HAO1
SCHEMBL3535180 0.82 TTK (0.36) TTKHAO1KDM4EALDH1A1
SCHEMBL3531978 0.82 CA2 (0.41) TTKHTR6HRH3CA2HAO1

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 TTK 4270/4885HTR6 1/4885HRH4 273/4885

“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.