Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773866

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NCCc1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
APAF1 O14727 1/20 0.41
PABPC1 P11940 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXAS1 P24557 2/20 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
Trifluoroacetic Acid SCHEMBL5774473 0.92 CYP3A4 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5771354 0.92 ALDH1A1 (0.49) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5775717 0.91 GSK3B (0.44) MEN1KMT2ASMN1; SMN2TP53CYP1A2
Trifluoroacetic Acid SCHEMBL5772665 0.84 NPC1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNATP53
Trifluoroacetic Acid SCHEMBL5772978 0.84 GSK3B (0.52) ALDH1A1GAASMN1; SMN2MAPTCYP1A2
Trifluoroacetic Acid SCHEMBL5773317 0.84 CYP3A4 (0.53) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5773568 0.83 EPHX2 (0.52) MEN1GAAKMT2ATP53CYP1A2
Trifluoroacetic Acid SCHEMBL5775554 0.83 HDAC4 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5776657 0.81 MAPT (0.42) SMN1; SMN2MAPTTP53
Trifluoroacetic Acid SCHEMBL5771101 0.80 TP53 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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 ALDH1A1 1045/4885MEN1 2811/4885GAA 2207/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885MEN1 2072/4885GAA 1930/4885

“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.