Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3536574

CNCCc1cccc2c(S(=O)(=O)c3ccccc3)n[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.44
SLC6A2 P23975 5/20 0.44
HTR6 P50406 4/20 0.39
CACNA1B Q00975 2/20 0.36
AR P10275 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
AKR1C3 P42330 1/20 0.33
MTNR1A P48039 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
HTT P42858 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
SCHEMBL3533653 0.92 HTR2A (0.51) HTR2ASLC6A2HTR6TAAR1KDM4E
SCHEMBL3532382 0.79 HTR6 (0.38) HTR2ASLC6A2HTR6ALDH1A1
SCHEMBL3536576 0.79 SLC6A2 (0.35) HTR2ASLC6A2HTR6KDM4EALDH1A1
SCHEMBL3533773 0.77 SLC6A2 (0.49) HTR2ASLC6A2HTR6ALDH1A1
SCHEMBL3536066 0.77 SLC6A2 (0.47) HTR2ASLC6A2HTR6TAAR1HTR1A
SCHEMBL3532415 0.76 HTR2A (0.50) HTR2ASLC6A2HTR6HTR1A
Hydrochloric Acid SCHEMBL3536330 0.76 SLC6A2 (0.48) HTR2ASLC6A2HTR6ALDH1A1
Hydrochloric Acid SCHEMBL3538337 0.76 SLC6A2 (0.46) HTR2ASLC6A2HTR6TAAR1HTR1A
SCHEMBL3535808 0.75 HTR6 (0.48) HTR2ASLC6A2HTR6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3530170 0.75 HTR2A (0.49) HTR2ASLC6A2HTR6HTR1A

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 HTR2A 11/4885SLC6A2 47/4885HTR6 1/4885

“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.