Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4708396

CCNc1nc(N)nc2cc(I)c3c(ccn3C)c12.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.36
TLR7 Q9NYK1 4/20 0.35
APP P05067 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 1/20 0.32
PTPN1 P18031 1/20 0.32
DHFR P00374 1/20 0.32
SYK P43405 3/20 0.32
CYP3A4 P08684 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL4706997 0.91 SYK (0.35) TLR7APPCYP2D6CYP2C9PTPN1
Trifluoroacetic Acid SCHEMBL4707756 0.89 TLR7 (0.37) TLR7CYP2D6CYP2C9SYKCYP3A4
Trifluoroacetic Acid SCHEMBL4706549 0.88 SYK (0.36) TLR7APPSYK
SCHEMBL4706999 0.83 SYK (0.40) TLR7CYP2D6CYP2C9SYK
Trifluoroacetic Acid SCHEMBL4705990 0.83 PTPN1 (0.46) NLRP3TLR7APPCYP2D6PTPN1
Trifluoroacetic Acid SCHEMBL4708029 0.83 MEN1 (0.32) TLR7DHFR
SCHEMBL4707759 0.83 SYK (0.41) TLR7CYP2D6CYP2C9SYK
Trifluoroacetic Acid SCHEMBL4707434 0.81 CRHR1 (0.37) TLR7DHFR
SCHEMBL4706552 0.81 TLR7 (0.33) TLR7
Trifluoroacetic Acid SCHEMBL4708699 0.80 TLR7 (0.36) TLR7APPCYP2D6PTPN1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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 (1 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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 NLRP3 1979/4885TLR7 3293/4885APP 3706/4885

“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.