Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4521116

CNc1nc(N)nc2cc(-c3c(Cl)cccc3Cl)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.48
DHFR P00374 2/20 0.40
MAP4K4 O95819 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
FABP4 P15090 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SRC P12931 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4526172 0.89 PTPN1 (0.59) PTPN1DHFRMAP4K4HRH4SRC
Trifluoroacetic Acid SCHEMBL4510501 0.89 PTPN1 (0.51) PTPN1DHFRMAP4K4SRCCYP1A2
Trifluoroacetic Acid SCHEMBL4533714 0.88 PTPN1 (0.49) PTPN1DHFRCYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4524510 0.87 PTPN1 (0.50) PTPN1DHFRCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4528055 0.87 MAP4K4 (0.43) PTPN1DHFRMAP4K4
Trifluoroacetic Acid SCHEMBL4528549 0.86 DHFR (0.50) PTPN1DHFRMAP4K4HRH4CYP1A2
Trifluoroacetic Acid SCHEMBL4525618 0.85 DHFR (0.52) PTPN1DHFRMAP4K4HRH4CYP1A2
Trifluoroacetic Acid SCHEMBL4519544 0.85 APP (0.40) DHFRJAK2TYK2FABP4
Trifluoroacetic Acid SCHEMBL5499368 0.84 PTPN1 (0.39) PTPN1DHFRCYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4533732 0.83 PTPN1 (0.52) PTPN1MAP4K4HRH4CYP1A2CYP3A4

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

“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.