Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7012810

NCCCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
F10 P00742 13/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL7014625 0.83 F10 (0.46) F10PTGDR2ALDH1A1
Hydrochloric Acid SCHEMBL7012167 0.83 F10 (0.43) F10ALDH1A1HTT
SCHEMBL7013159 0.79 PPARG (0.51) F10ALDH1A1HTT
SCHEMBL7010156 0.78 PPARG (0.52) F10ALDH1A1HTT
SCHEMBL7017324 0.76 F10 (0.53) F10ALDH1A1HTT
SCHEMBL7012814 0.76 F10 (0.38) F10ALDH1A1HTT
SCHEMBL7015561 0.76 CA2 (0.51) CA2F10PTGDR2ALDH1A1HTT
SCHEMBL7018196 0.75 F10 (0.55) F10
SCHEMBL947731 0.74 ALDH1A1 (0.56) F10ALDH1A1HTT
SCHEMBL7011601 0.74 F10 (0.56) F10ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH CA12 3191/4885CA1 2464/4885CA2 1076/4885

“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.