Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4528055

CNc1nc(N)nc2cc(-c3cc(Cl)cc(Cl)c3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
DHFR P00374 4/20 0.39
PTPN1 P18031 9/20 0.39
NLRP3 Q96P20 2/20 0.37
GSK3B P49841 1/20 0.36
TRIM58 Q8NG06 1/20 0.36
KMT2A Q03164 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4524783 0.88 MAP4K4 (0.52) MAP4K4DHFRPTPN1NLRP3TRIM58
Trifluoroacetic Acid SCHEMBL4525618 0.87 DHFR (0.52) MAP4K4DHFRPTPN1NLRP3TRIM58
Trifluoroacetic Acid SCHEMBL4521116 0.87 PTPN1 (0.48) MAP4K4DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4528549 0.85 DHFR (0.50) MAP4K4DHFRPTPN1TRIM58
Trifluoroacetic Acid SCHEMBL4533732 0.85 PTPN1 (0.52) MAP4K4PTPN1KMT2AHSP90AB1
Trifluoroacetic Acid SCHEMBL4533714 0.84 PTPN1 (0.49) DHFRPTPN1GSK3B
Trifluoroacetic Acid SCHEMBL5499368 0.83 PTPN1 (0.39) DHFRPTPN1NLRP3
Trifluoroacetic Acid SCHEMBL4529413 0.83 DHFR (0.40) DHFRPTPN1NLRP3GSK3BTRIM58
Trifluoroacetic Acid SCHEMBL4524510 0.83 PTPN1 (0.50) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4526540 0.82 PTPN1 (0.48) DHFRPTPN1TRIM58

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 MAP4K4 639/4885DHFR 2071/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885PTPN1 2/4885

“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.