Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4690935

Nc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCOCc2ccccc2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.39
PAX8 Q06710 2/20 0.36
DCPS Q96C86 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL4688280 0.95 SLC2A1 (0.42) SLC2A1PAX8DCPS
Trifluoroacetic Acid SCHEMBL4705925 0.89 TLR7 (0.36) TLR7PTPN1
Trifluoroacetic Acid SCHEMBL4691388 0.88 SCN5A (0.38) SLC2A1PAX8GRIN1GRIN2BPTPN1
SCHEMBL4691391 0.87 SLC2A1 (0.36) SLC2A1PAX8GRIN1GRIN2BPTPN1
Trifluoroacetic Acid SCHEMBL4691189 0.86 SLC2A1 (0.39) SLC2A1PAX8GRIN1GRIN2BPTPN1
SCHEMBL4706538 0.84 TLR7 (0.39) TLR7PTPN1
SCHEMBL4689868 0.83 SLC2A1 (0.41) SLC2A1PAX8GRIN1GRIN2BPTPN1
SCHEMBL4688933 0.83 SLC2A1 (0.40) SLC2A1PTPN1
SCHEMBL4691192 0.81 GRIN1 (0.36) SLC2A1PAX8GRIN1GRIN2BPTPN1
SCHEMBL4758037 0.78 PTPN1 (0.38) PTPN1

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
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US claimed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US claimed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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 (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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 SLC2A1 271/4885PAX8 1715/4885DCPS 244/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C SLC2A1 298/4885PAX8 2586/4885DCPS 220/4885

“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.