Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773568

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCc1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
HPGD P15428 1/20 0.41
MAPK14 Q16539 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NAMPT P43490 1/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 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 SCHEMBL5775717 0.92 GSK3B (0.44) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5771828 0.91 GSK3B (0.42) EPHX2HPGDMAPK14CYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL5771354 0.90 ALDH1A1 (0.49) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5773900 0.87 CYP1A2 (0.52) EPHX2HPGDCYP1A2CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5771064 0.85 LMNA (0.44) MAPK14TP53TAAR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5774844 0.83 HDAC4 (0.40) HPGDMAPK14CYP1A2CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5777437 0.83 ACKR3 (0.41) HPGDKCNH2
Trifluoroacetic Acid SCHEMBL5772978 0.83 GSK3B (0.52) CYP1A2CYP2C9CYP2C19NAMPTGAA
Trifluoroacetic Acid SCHEMBL5773866 0.83 ALDH1A1 (0.48) CYP1A2CYP2D6CYP2C9CYP2C19TP53
Trifluoroacetic Acid SCHEMBL5773317 0.83 CYP3A4 (0.53) HPGDCYP1A2CYP2C9CYP2C19GAA

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 EPHX2 1846/4885HPGD 1588/4885MAPK14 1376/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 EPHX2 2389/4885HPGD 1307/4885MAPK14 1203/4885

“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.