Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4534719

CCOc1cccc(C(F)(F)F)c1-c1ccc2c(NC)nc(N)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.47
DHFR P00374 3/20 0.43
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ADORA2A P29274 1/20 0.37
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL4524961 0.94 PTPN1 (0.52) PTPN1DHFRTRPV1
Trifluoroacetic Acid SCHEMBL4524510 0.89 PTPN1 (0.50) PTPN1DHFRTRPV1
SCHEMBL4523462 0.86 PTPN1 (0.51) PTPN1DHFRTRPV1
SCHEMBL5498432 0.86 PTPN1 (0.51) PTPN1DHFRTRPV1
SCHEMBL4520756 0.84 PTPN1 (0.47) PTPN1DHFRTRPV1
SCHEMBL4524484 0.84 PTPN1 (0.52) PTPN1DHFRTRPV1
Trifluoroacetic Acid SCHEMBL3731826 0.83 PTPN1 (0.70) PTPN1
Trifluoroacetic Acid SCHEMBL4524553 0.83 RXRA (0.45) DHFRRXRARXRB
SCHEMBL4527944 0.82 PTPN1 (0.57) PTPN1DHFRTRPV1
Trifluoroacetic Acid SCHEMBL4535354 0.81 DHFR (0.46) PTPN1DHFRRXRARXRBRXRG

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 2071/4885RXRA 4053/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885DHFR 2071/4885RXRA 4053/4885

“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.