Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4525825

CNc1nc(N)nc2cc(-c3cc(C(C)C)ccc3OC)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.45
LRRK2 Q5S007 3/20 0.41
CTSA P10619 7/20 0.39
PTPN1 P18031 2/20 0.38
CASR P41180 2/20 0.37
CETP P11597 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL4524037 0.91 DHFR (0.54) DHFRLRRK2PTPN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4526781 0.83 DHFR (0.43) DHFRLRRK2PTPN1
Trifluoroacetic Acid SCHEMBL4526540 0.78 PTPN1 (0.48) DHFRPTPN1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4525618 0.77 DHFR (0.52) DHFRPTPN1CYP1A2CYP3A4HSD17B10
Trifluoroacetic Acid SCHEMBL4533714 0.76 PTPN1 (0.49) DHFRLRRK2PTPN1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4517302 0.76 PTPN1 (0.59) DHFRPTPN1CYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4528549 0.75 DHFR (0.50) DHFRPTPN1CYP1A2CYP3A4HSD17B10
Trifluoroacetic Acid SCHEMBL4533732 0.75 PTPN1 (0.52) PTPN1CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4521232 0.75 DHFR (0.73) DHFRLRRK2PTPN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4528055 0.74 MAP4K4 (0.43) DHFRPTPN1

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 DHFR 2071/4885LRRK2 536/4885CTSA 1908/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885LRRK2 536/4885CTSA 1908/4885

“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.