Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5619136

Cn1ccc2c3c(NCCCO)nc(N)nc3cc(-c3cccs3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.34
CYP2D6 P10635 2/20 0.34
GBA1 P04062 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
TLR7 Q9NYK1 6/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
DHFR P00374 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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 SCHEMBL4708058 0.95 GBA1 (0.39) SYKCYP2D6GBA1MEN1ALDH1A1
SCHEMBL4706832 0.93 MEN1 (0.38) SYKCYP2D6GBA1MEN1ALDH1A1
SCHEMBL5619140 0.88 GBA1 (0.39) SYKCYP2D6GBA1MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL4707814 0.88 KMT2A (0.37) MEN1ALDH1A1KMT2ADHFRMAPT
SCHEMBL4706408 0.88 GBA1 (0.42) SYKGBA1MEN1ALDH1A1KMT2A
SCHEMBL4708062 0.86 GBA1 (0.43) SYKGBA1MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL4707248 0.85 PTPN1 (0.42) CYP2D6ALDH1A1CYP2C9TLR7CYP3A4
Trifluoroacetic Acid SCHEMBL4707756 0.83 TLR7 (0.37) SYKCYP2D6CYP2C9TLR7CSNK2A2
Trifluoroacetic Acid SCHEMBL4707818 0.83 PTPN1 (0.34) SYKCYP2D6ALDH1A1CYP2C9TLR7
Trifluoroacetic Acid SCHEMBL4707306 0.82 NLRP3 (0.36) MEN1ALDH1A1KMT2ATLR7DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US claimed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 US claimed
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 SYK 127/4885CYP2D6 1994/4885GBA1 3074/4885

“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.