Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7313830

COc1ccc(S(=O)(=O)n2c(OC)c(CCN)c3cc(-c4ccc5ccccc5c4)ccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 3/20 0.42
HTR6 P50406 8/20 0.42
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CXCL8 P10145 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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 SCHEMBL7307520 0.90 PTGDR2 (0.38) PTGDRPTGDR2PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7307842 0.90 PTGDR (0.43) PTGDRPTGDR2PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7583561 0.80 ICMT (0.37) PTGDRPTGDR2HTR6LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7320899 0.76 SERPINE1 (0.33) PTGDR2PPARGHTR6ALDH1A1PKM
Trifluoroacetic Acid SCHEMBL7322133 0.72 HTR6 (0.62) PPARGPPARAPPARDHTR6
Oxalic Acid SCHEMBL7448579 0.71 HTR6 (0.71) PTGDRPTGDR2HTR6LMNA
Trifluoroacetic Acid SCHEMBL7399632 0.70 MTNR1A (0.36) ALDH1A1LMNAGAAPKMHTT
Trifluoroacetic Acid SCHEMBL7310320 0.68 HTR6 (0.62) PPARGPPARAPPARDHTR6
Trifluoroacetic Acid SCHEMBL7307478 0.67 ICMT (0.52)
Trifluoroacetic Acid SCHEMBL7399152 0.64 SIRT1 (0.45) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 PTGDR 4250/4885PTGDR2 4010/4885PPARG 2889/4885

“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.