Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4519087

CNc1nc(N)nc2cc(-c3c(C)cccc3[N+](=O)[O-])ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.43
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DHFR P00374 1/20 0.36
SRC P12931 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GALR2 O43603 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 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
SCHEMBL4528835 0.91 PTPN1 (0.50) PTPN1HRH4ALDH1A1MAPTDHFR
Trifluoroacetic Acid SCHEMBL4524510 0.81 PTPN1 (0.50) PTPN1DHFR
Trifluoroacetic Acid SCHEMBL4521116 0.81 PTPN1 (0.48) PTPN1HRH4DHFRSRCTDP1
Trifluoroacetic Acid SCHEMBL4528549 0.80 DHFR (0.50) PTPN1HRH4DHFR
Trifluoroacetic Acid SCHEMBL4525618 0.80 DHFR (0.52) PTPN1HRH4DHFR
Trifluoroacetic Acid SCHEMBL4519252 0.79 NLRP3 (0.51) PTPN1HRH4DHFRSRC
Trifluoroacetic Acid SCHEMBL5499368 0.78 PTPN1 (0.39) PTPN1DHFR
SCHEMBL4533460 0.78 HRH4 (0.55) PTPN1HRH4DHFRSRC
SCHEMBL4525916 0.78 PTPN1 (0.49) PTPN1HRH4DHFRSRC
Trifluoroacetic Acid SCHEMBL4526540 0.77 PTPN1 (0.48) PTPN1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN claimed
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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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 2/4885HRH4 3834/4885ALDH1A1 1591/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885ALDH1A1 1591/4885

“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.