Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4522676

CS(=O)(=O)Nc1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
MCL1 Q07820 1/20 0.43
METAP2 P50579 2/20 0.42
LIMK1 P53667 1/20 0.41
APP P05067 2/20 0.40
TRPV1 Q8NER1 3/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SLC6A3 Q01959 1/20 0.38
SCN9A Q15858 1/20 0.38
DHFR P00374 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4528706 0.93 ALOX5AP (0.47) PTPN1ALOX5APFEN1MCL1METAP2
SCHEMBL4522679 0.86 ALOX5AP (0.42) ALOX5APFEN1MCL1METAP2LIMK1
SCHEMBL4521108 0.81 APP (0.44) PTPN1ALOX5APFEN1APPDHFR
Trifluoroacetic Acid SCHEMBL4517024 0.80 APP (0.54) PTPN1APPUSP2CYP1A2CYP3A4
SCHEMBL4530789 0.80 LIMK1 (0.50) PTPN1ALOX5APFEN1MCL1METAP2
SCHEMBL4528846 0.79 PTPN1 (0.66) PTPN1APPUSP2CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4526540 0.78 PTPN1 (0.48) PTPN1USP2CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4530564 0.78 NLRP3 (0.49) PTPN1APPUSP2CYP1A2CYP3A4
SCHEMBL4525583 0.77 APP (0.48) PTPN1APPUSP2CYP1A2CYP3A4
SCHEMBL4528868 0.77 PTPN1 (0.49) PTPN1ALOX5APFEN1APPDHFR

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 2/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885ALOX5AP 3709/4885FEN1 3010/4885

“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.