Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3734734

CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 19/20 0.89
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL4379518 0.94 PTPN1 (1.00) PTPN1CYP1A2CYP2D6CYP2C19RECQL
Trifluoroacetic Acid SCHEMBL3737206 0.86 PTPN1 (0.94) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL13040885 0.82 PTPN1 (1.00) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL3734469 0.79 PTPN1 (1.00) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL13636234 0.78 PTPN1 (0.84) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL3737209 0.78 PTPN1 (0.76) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL3745217 0.75 PTPN1 (1.00) PTPN1CYP1A2CYP2D6CYP2C19RECQL
Trifluoroacetic Acid SCHEMBL3735117 0.74 PTPN1 (0.57) PTPN1
Trifluoroacetic Acid SCHEMBL3732511 0.73 PTPN1 (0.56) PTPN1
Trifluoroacetic Acid SCHEMBL3734769 0.73 PTPN1 (0.56) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP claimed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — US disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 — — EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 — — WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — US 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 (3 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885CYP1A2 842/4885CYP2D6 897/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP PTPN1 2/4885CYP1A2 842/4885CYP2D6 897/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885CYP1A2 842/4885CYP2D6 897/4885

“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.

Send feedback