Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4707248

Cn1ccc2c3c(NCCCO)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.42
CYP2D6 P10635 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
TLR7 Q9NYK1 4/20 0.37
TLR8 Q9NR97 1/20 0.37
ACP1 P24666 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 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
Trifluoroacetic Acid SCHEMBL5619985 0.95 PTPN1 (0.47) PTPN1CYP2D6CYP3A4CYP1A2TSHR
SCHEMBL4705744 0.95 PTPN1 (0.46) PTPN1CYP2D6CYP3A4CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4705990 0.90 PTPN1 (0.46) PTPN1CYP2D6CYP3A4CYP1A2TSHR
SCHEMBL4705440 0.90 PTPN1 (0.52) PTPN1CYP2D6CYP3A4CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4706006 0.88 PTPN1 (0.38) PTPN1CYP2D6CYP3A4CYP1A2TSHR
SCHEMBL4707250 0.88 PTPN1 (0.38) PTPN1CYP2D6CYP3A4CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4708662 0.88 PTPN1 (0.49) PTPN1CYP2D6CYP3A4CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4706828 0.86 PTPN1 (0.47) PTPN1CYP2D6CYP3A4CYP1A2TSHR
SCHEMBL5619987 0.86 PTPN1 (0.39) PTPN1CYP2D6CYP3A4CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL5619136 0.85 SYK (0.34) CYP2D6CYP3A4TLR7ALDH1A1HPGD

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 5 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
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 PTPN1 10/4885CYP2D6 1994/4885CYP3A4 2879/4885

“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.