Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5771101

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccncc1.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
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 3/20 0.44
BCHE P06276 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KLF5 Q13887 1/20 0.39
GSK3B P49841 1/20 0.39
GMNN O75496 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 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 SCHEMBL5771064 0.92 LMNA (0.44) TP53SMN1; SMN2MAPTLMNABCHE
Trifluoroacetic Acid SCHEMBL5772665 0.90 NPC1 (0.52) TP53SMN1; SMN2MAPTLMNANPC1
SCHEMBL5773606 0.89 MAPT (0.48) TP53SMN1; SMN2MAPTLMNATRPV1
SCHEMBL5773332 0.86 CNR2 (0.51) TP53SMN1; SMN2MAPTLMNACNR2
Trifluoroacetic Acid SCHEMBL5772978 0.86 GSK3B (0.52) SMN1; SMN2MAPTTRPV1GSK3BCYP1A2
Trifluoroacetic Acid SCHEMBL5775717 0.85 GSK3B (0.44) TP53SMN1; SMN2TRPV1GSK3BCYP1A2
SCHEMBL5775672 0.85 MAPT (0.50) TP53SMN1; SMN2MAPTLMNATRPV1
SCHEMBL5771066 0.84 MLYCD (0.47) TP53SMN1; SMN2MAPTLMNACNR2
Trifluoroacetic Acid SCHEMBL5776422 0.83 MCHR1 (0.46) TP53SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL5771411 0.83 TP53 (0.54) TP53SMN1; SMN2MAPTLMNATRPV1

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR TP53 4371/4885SMN1; SMN2 3383/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TP53 4446/4885SMN1; SMN2 2449/4885MAPT 4763/4885

“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.