Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6432682

N=C(N)Nc1ncc(Cl)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA1 P00915 3/20 0.49
PDK1 Q15118 3/20 0.47
PDK2 Q15119 3/20 0.47
PDK3 Q15120 3/20 0.47
PDK4 Q16654 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.43
HPGDS O60760 3/20 0.43
GPR132 Q9UNW8 4/20 0.43
FPR2 P25090 1/20 0.42
FTO Q9C0B1 2/20 0.42
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42

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 SCHEMBL6432685 1.00 CA2 (0.49) CA2CA1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6434379 0.90 CA2 (0.46) CA2CA1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6434983 0.89 CA2 (0.46) CA2CA1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6434979 0.89 CA2 (0.46) CA2CA1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6435207 0.88 GRN (0.51) CA2CA1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL6435197 0.88 GRN (0.51) CA2CA1PDK1PDK2PDK3
SCHEMBL6437336 0.85 ROCK2 (0.48) CA2CA1HPGDS
Trifluoroacetic Acid SCHEMBL6434862 0.85 CTSA (0.42)
SCHEMBL6434387 0.84 MRGPRX4 (0.37) CA2CA1PDK1PDK2PDK3
SCHEMBL6434672 0.84 CTSL (0.46) CA2CA1PDK1PDK2PDK3

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-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 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 (2 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CA2 3285/4885CA1 3943/4885PDK1 3923/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CA2 3285/4885CA1 3943/4885PDK1 3923/4885

“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.