Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5774844

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCNc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 5/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 3/20 0.34
MAPK14 Q16539 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL5775554 0.91 HDAC4 (0.43) HDAC4HDAC1HDAC6CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL5777437 0.84 ACKR3 (0.41) HDAC4HDAC1HDAC6KCNH2HPGD
Trifluoroacetic Acid SCHEMBL5773568 0.83 EPHX2 (0.52) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5773900 0.83 CYP1A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Trifluoroacetic Acid SCHEMBL5771354 0.83 ALDH1A1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
Trifluoroacetic Acid SCHEMBL5774082 0.83 ACKR3 (0.42) HDAC4HDAC1HDAC6KCNH2CYP1A2
SCHEMBL5777386 0.82 LMNA (0.47) LMNAALDH1A1GAAMAPK14MEN1
Trifluoroacetic Acid SCHEMBL5777271 0.82 GAA (0.37) HDAC6KCNH2HPGDLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL5773774 0.82 TSHR (0.41) HDAC4HDAC1HDAC6KCNH2LMNA
Trifluoroacetic Acid SCHEMBL5770600 0.82 HPGD (0.50) HPGDLMNAALDH1A1TP53GAA

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 HDAC4 434/4885HDAC1 353/4885HDAC6 1324/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC4 497/4885HDAC1 184/4885HDAC6 1224/4885

“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.