Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5771828

O=C(CCc1cnoc1-c1ccc(F)cc1)NCc1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 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 SCHEMBL5772978 0.92 GSK3B (0.52) GSK3BSMN1; SMN2CYP3A4GAAALDH1A1
Trifluoroacetic Acid SCHEMBL5773568 0.91 EPHX2 (0.52) EPHX2MAPK14GAACYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL5773317 0.90 CYP3A4 (0.53) HTTLMNASMN1; SMN2CYP3A4GAA
SCHEMBL5775471 0.87 HDAC3 (0.46) GSK3BHTTLMNASMN1; SMN2HPGD
SCHEMBL5774072 0.87 LMNA (0.54) HTTLMNASMN1; SMN2CYP3A4GAA
Trifluoroacetic Acid SCHEMBL5771064 0.86 LMNA (0.44) LMNAL3MBTL1MAPK14SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5770600 0.84 HPGD (0.50) LMNASMN1; SMN2GAAALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5775717 0.83 GSK3B (0.44) GSK3BEPHX2SMN1; SMN2CYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL5771354 0.83 ALDH1A1 (0.49) HTTEPHX2LMNAL3MBTL1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5774473 0.83 CYP3A4 (0.52) GSK3BHTTLMNASMN1; SMN2CYP3A4

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 GSK3B 1517/4885HTT 4375/4885EPHX2 1846/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GSK3B 2013/4885HTT 3773/4885EPHX2 2389/4885

“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.