Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5774082

CN(CCCNC(=O)CCc1cnoc1-c1ccc(F)cc1)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.42
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
BCHE P06276 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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 SCHEMBL5772750 0.92 MAPT (0.40) ACKR3ALOX15TSHRMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5774893 0.87 GAA (0.47) ACKR3ALOX15TSHRMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5777437 0.86 ACKR3 (0.41) ACKR3ALOX15TSHRMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5777271 0.86 GAA (0.37) ACKR3ALOX15TSHRMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5774844 0.83 HDAC4 (0.40) ALDH1A1LMNAKCNH2HPGDGAA
Trifluoroacetic Acid SCHEMBL5775794 0.82 KCNH2 (0.38) ACKR3ALOX15TSHRMAPTALDH1A1
SCHEMBL5774087 0.82 CNR1 (0.36) ALOX15TSHRCNR1HDAC8
Trifluoroacetic Acid SCHEMBL5774671 0.81 MAPT (0.54) ALOX15TSHRMAPTALDH1A1LMNA
SCHEMBL5773717 0.80 L3MBTL1 (0.52) TSHRMAPTALDH1A1LMNAKCNH2
Trifluoroacetic Acid SCHEMBL5773355 0.79 TSHR (0.50) TSHRALDH1A1LMNAHTTUSP2

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 ACKR3 542/4885ALOX15 577/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ACKR3 1331/4885ALOX15 800/4885TSHR 583/4885

“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.