Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4708699

Nc1nc(NCCO)c2c(cc(I)c3c2ccn3CCO)n1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.36
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
APP P05067 2/20 0.32
CHUK O15111 1/20 0.31
CSNK2A1 P68400 1/20 0.31
SYK P43405 1/20 0.31
IKBKB O14920 1/20 0.31
CDK11B P21127 1/20 0.31
CDK7 P50613 1/20 0.31
CDK13 Q14004 1/20 0.31
MAP3K19 Q56UN5 1/20 0.31
MYLK4 Q86YV6 1/20 0.31
CDK11A Q9UQ88 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 0.90 SYK (0.35) TLR7PTPN1KDM4EALDH1A1LMNA
SCHEMBL4708701 0.89 TLR7 (0.36) TLR7SYK
Trifluoroacetic Acid SCHEMBL4707756 0.85 TLR7 (0.37) TLR7CYP2D6CSNK2A1SYK
Trifluoroacetic Acid SCHEMBL4706828 0.84 PTPN1 (0.47) TLR7PTPN1KDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL4706900 0.83 TLR7 (0.39) TLR7CYP2D6APP
Trifluoroacetic Acid SCHEMBL4708180 0.83
Trifluoroacetic Acid SCHEMBL4708396 0.80 NLRP3 (0.36) TLR7PTPN1CYP2D6APPSYK
Trifluoroacetic Acid SCHEMBL4706549 0.79 SYK (0.36) TLR7APPSYK
SCHEMBL4705995 0.78 PTPN1 (0.51) TLR7PTPN1KDM4EALDH1A1LMNA
SCHEMBL4706999 0.78 SYK (0.40) TLR7CYP2D6SYK

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 TLR7 3293/4885PTPN1 10/4885KDM4E 992/4885

“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.