Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4517024

CCCNc1nc(N)nc2cc(-c3ccccc3C)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.54
PTPN1 P18031 2/20 0.47
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
NLRP3 Q96P20 1/20 0.41
SLC2A1 P11166 1/20 0.41
DHFR P00374 2/20 0.40
PDE5A O76074 1/20 0.40
BACE1 P56817 3/20 0.40
LCK P06239 1/20 0.39

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 SCHEMBL4530564 0.92 NLRP3 (0.49) APPPTPN1ALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4523507 0.90 APP (0.53) APPPTPN1TLR7CYP2D6CYP2C9
SCHEMBL4531699 0.90 APP (0.62) APPPTPN1TLR7ALDH1A1CYP1A2
SCHEMBL4525583 0.82 APP (0.48) APPPTPN1ALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4519252 0.82 NLRP3 (0.51) APPPTPN1NLRP3DHFR
SCHEMBL4534824 0.81 APP (0.49) APPPTPN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4531688 0.81 NLRP3 (0.59) APPPTPN1NLRP3DHFRBACE1
Trifluoroacetic Acid SCHEMBL4528110 0.81 LCK (0.42) DHFRBACE1LCKKDRJAK3
SCHEMBL4516371 0.81 APP (0.46) APPPTPN1TLR7ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL4533532 0.80 DHFR (0.41) ALDH1A1DHFRBACE1LCKKDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885PTPN1 2/4885TLR7 2015/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885PTPN1 2/4885TLR7 2015/4885

“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.