Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5777271

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCCN(CCO)CCO.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ACKR3 P25106 1/20 0.37
KCNH2 Q12809 1/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
HPGD P15428 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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 SCHEMBL5774893 0.92 GAA (0.47) GAAACKR3KCNH2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5774050 0.92 TRPV1 (0.43) GAAACKR3LMNAMAPTALDH1A1
SCHEMBL5777275 0.90 LMNA (0.33) GAAACKR3KCNH2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5774082 0.86 ACKR3 (0.42) GAAACKR3KCNH2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5777437 0.86 ACKR3 (0.41) ACKR3KCNH2LMNAMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5775794 0.83 KCNH2 (0.38) GAAACKR3KCNH2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5774844 0.82 HDAC4 (0.40) GAAKCNH2LMNAALDH1A1HDAC6
SCHEMBL5774052 0.82 TRPV1 (0.40) GAAMAPTHDAC6TRPV1HPGD
Trifluoroacetic Acid SCHEMBL5773568 0.81 EPHX2 (0.52) GAAKCNH2HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5774292 0.80 TSHR (0.50) GAALMNAALDH1A1HTTTSHR

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 GAA 2207/4885ACKR3 542/4885KCNH2 1149/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GAA 1930/4885ACKR3 1331/4885KCNH2 834/4885

“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.