Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4526540

CNc1nc(N)nc2cc(-c3ccccc3-c3ccccc3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.48
DHFR P00374 6/20 0.43
TRIM58 Q8NG06 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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 SCHEMBL4525618 0.92 DHFR (0.52) PTPN1DHFRTRIM58CYP1A2USP2
Trifluoroacetic Acid SCHEMBL4533714 0.90 PTPN1 (0.49) PTPN1DHFRCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4517302 0.90 PTPN1 (0.59) PTPN1DHFRCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4528549 0.90 DHFR (0.50) PTPN1DHFRTRIM58CYP1A2USP2
SCHEMBL4519688 0.89 DHFR (0.52) PTPN1DHFRTRIM58CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL4510501 0.86 PTPN1 (0.51) PTPN1DHFRCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4527903 0.85 DHFR (0.43) PTPN1DHFRTRIM58
Trifluoroacetic Acid SCHEMBL4521203 0.83 DHFR (0.43) PTPN1DHFRTRIM58
Trifluoroacetic Acid SCHEMBL4533732 0.83 PTPN1 (0.52) PTPN1CYP1A2CYP2D6CYP2C19CYP3A4
Trifluoroacetic Acid SCHEMBL4526781 0.83 DHFR (0.43) PTPN1DHFRTRIM58

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 PTPN1 2/4885DHFR 2071/4885TRIM58 2337/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885DHFR 2071/4885TRIM58 2337/4885

“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.