Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794145

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccc(-c3ccc4c(c3)OCO4)cc1)-c1ccncc1CC2

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.44
ROCK2 O75116 5/20 0.38
SLC13A5 Q86YT5 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
FAAH O00519 1/20 0.33
SCD5 Q86SK9 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6794149 0.90 HTR5A (0.38) HTR5AROCK2SLC13A5FAAHSCD5
Trifluoroacetic Acid SCHEMBL1655955 0.90 HTR5A (0.35) HTR5AROCK2
Trifluoroacetic Acid SCHEMBL4259039 0.89 HTR5A (0.38) HTR5AROCK2
Trifluoroacetic Acid SCHEMBL4267029 0.89 HTR5A (0.35) HTR5AROCK2
Trifluoroacetic Acid SCHEMBL4257275 0.89 HTR5A (0.34) HTR5AROCK2SLC22A12FLT1KDR
Trifluoroacetic Acid SCHEMBL6792394 0.88 ROCK2 (0.36) HTR5AROCK2MAPTLMNA
Trifluoroacetic Acid SCHEMBL4257192 0.87 HTR5A (0.33) HTR5AFLT1KDR
Trifluoroacetic Acid SCHEMBL4262273 0.87 HTR5A (0.38) HTR5A
Trifluoroacetic Acid SCHEMBL4262242 0.87 ADRB3 (0.37) HTR5AROCK2
Trifluoroacetic Acid SCHEMBL4259030 0.87 S1PR1 (0.37) HTR5AROCK2SLC13A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HTR5A 2230/4885ROCK2 317/4885SLC13A5 4048/4885

“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.