Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4692155

Cn1ccc2c3c(N)nc(N)nc3cc(-c3cccc(O)c3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.40
SLC2A1 P11166 4/20 0.38
PAX8 Q06710 1/20 0.35
PTK6 Q13882 2/20 0.35
CSNK1D P48730 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3C2B O00750 1/20 0.34
PDXK O00764 1/20 0.34
GAK O14976 1/20 0.34
MAP3K7 O43318 1/20 0.34
RIPK2 O43353 1/20 0.34
PIP5K1C O60331 1/20 0.34
STK16 O75716 1/20 0.34
PIK3C2G O75747 1/20 0.34
PRKD3 O94806 1/20 0.34
OXSR1 O95747 1/20 0.34
LATS1 O95835 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 SCHEMBL4693910 0.91 DHFR (0.41) DHFRSLC2A1PAX8
SCHEMBL4692195 0.91 DHFR (0.47) DHFRSLC2A1PTK6CSNK1DPIK3CA
Trifluoroacetic Acid SCHEMBL4687967 0.91 SLC2A1 (0.41) DHFRSLC2A1PAX8PRKD3FLT3
Trifluoroacetic Acid SCHEMBL4689915 0.91 SLC2A1 (0.41) DHFRSLC2A1PAX8ADORA2A
Trifluoroacetic Acid SCHEMBL4692005 0.90 MAP4K4 (0.41) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4692244 0.89 DHFR (0.42) DHFRSLC2A1PAX8ADORA1ADORA2A
Trifluoroacetic Acid SCHEMBL4690263 0.89 DHFR (0.42) DHFRSLC2A1PAX8HSP90AA1HSP90AB1
Trifluoroacetic Acid SCHEMBL4690937 0.89 DHFR (0.52) DHFRSLC2A1PAX8PIK3CAPIK3CB
Trifluoroacetic Acid SCHEMBL4693879 0.88 DHFR (0.38) DHFRSLC2A1PAX8ADORA2A
Trifluoroacetic Acid SCHEMBL4689614 0.88 BACE1 (0.40) DHFRSLC2A1PAX8PIK3CAMTOR

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
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 DHFR 289/4885SLC2A1 271/4885PAX8 1715/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885PAX8 2586/4885

“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.