Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3116154

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1CCN(CC(Cc2ccccc2)NCc2cccc(Oc3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
FAAH O00519 4/20 0.45
CCR8 P51685 4/20 0.42
KCNH2 Q12809 1/20 0.42
MGLL Q99685 2/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL3117108 0.94 PPARG (0.47) PPARGPPARAFAAHCCR8KCNH2
SCHEMBL9906594 0.88 FAAH (0.45) PPARGPPARAFAAHCCR8
SCHEMBL9906620 0.85 FAAH (0.45) FAAHCCR8
SCHEMBL9906609 0.79 CXCR4 (0.43) FAAHCCR8LMNA
SCHEMBL9906595 0.78 FAAH (0.41) FAAHCCR8
SCHEMBL13540691 0.76 ALDH1A1 (0.47) PPARGPPARAFAAHCCR8LMNA
SCHEMBL9906612 0.76 DRD2 (0.46) FAAHCCR8LMNA
SCHEMBL9906617 0.73 DRD2 (0.41) FAAHCCR8LMNA
SCHEMBL9906623 0.73 RAB9A (0.62) PPARGPPARALMNA
SCHEMBL13540685 0.71 CXCR4 (0.52) FAAHLMNA

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-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-20040024022-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease SEQUELLA, INC. 2004-02-05 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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT PPARG 1000/4885PPARA 1528/4885FAAH 2618/4885
US-20040024022-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease THPO, C5, TERT PPARG 1159/4885PPARA 1736/4885FAAH 2461/4885

“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.