Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773317

O=C(CCc1cnoc1-c1ccc(F)cc1)NCc1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.51
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.43
HPGD P15428 1/20 0.41
HSD17B1 P14061 1/20 0.41

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) CYP3A4CYP1A2CYP2C9CYP2C19LMNA
Trifluoroacetic Acid SCHEMBL5771354 0.92 ALDH1A1 (0.49) CYP3A4CYP1A2CYP2C9CYP2C19GAA
Trifluoroacetic Acid SCHEMBL5771828 0.90 GSK3B (0.42) CYP3A4CYP1A2CYP2C9CYP2C19GAA
SCHEMBL5774072 0.86 LMNA (0.54) CYP3A4CYP1A2CYP2C9CYP2C19GAA
Trifluoroacetic Acid SCHEMBL5773866 0.84 ALDH1A1 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19GAA
Trifluoroacetic Acid SCHEMBL5776953 0.83 PKM (0.48) CYP3A4LMNAALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5770600 0.83 HPGD (0.50) GAALMNASMN1; SMN2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5773568 0.83 EPHX2 (0.52) CYP1A2CYP2C9CYP2C19GAAKMT2A
Trifluoroacetic Acid SCHEMBL5772978 0.82 GSK3B (0.52) CYP3A4CYP1A2CYP2C9CYP2C19GAA
SCHEMBL5775471 0.81 HDAC3 (0.46) LMNASMN1; SMN2HTTKMT2AHPGD

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 CYP3A4 39/4885CYP1A2 68/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP3A4 76/4885CYP1A2 74/4885CYP2C9 45/4885

“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.