Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4687401

CC(=O)c1ccc(-c2cc3nc(N)nc(N)c3c3ccn(C)c23)s1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.39
PAX8 Q06710 1/20 0.33
CLK1 P49759 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
FYN P06241 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
SCHEMBL4692025 0.93 DHFR (0.44) DHFRPAX8FYNSLC2A1KDM4E
Trifluoroacetic Acid SCHEMBL4695007 0.88 DHFR (0.39) DHFRPAX8SLC2A1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4691267 0.83 DHFR (0.38) DHFRPAX8SLC2A1
Trifluoroacetic Acid SCHEMBL4692238 0.82 DHFR (0.41) DHFRPAX8CLK1SLC2A1
Trifluoroacetic Acid SCHEMBL4690832 0.81 DHFR (0.40) DHFRPAX8SLC2A1
Trifluoroacetic Acid SCHEMBL4688631 0.81 DHFR (0.34) DHFRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL4692244 0.80 DHFR (0.42) DHFRPAX8SLC2A1
Trifluoroacetic Acid SCHEMBL4689027 0.80 DHFR (0.42) DHFRPAX8SLC2A1
Trifluoroacetic Acid SCHEMBL4688071 0.80 DHFR (0.42) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4690263 0.80 DHFR (0.42) DHFRPAX8SLC2A1

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-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 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 DHFR 289/4885PAX8 1715/4885CLK1 2164/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885PAX8 2586/4885CLK1 1624/4885

“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.