Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4687967

Cc1cccc(-c2cc3nc(N)nc(N)c3c3ccn(C)c23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
DHFR P00374 6/20 0.40
TPH1 P17752 1/20 0.36
TPH2 Q8IWU9 1/20 0.36
F2R P25116 1/20 0.36
PAX8 Q06710 1/20 0.35
PRKD3 O94806 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AXL P30530 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
IRAK1 P51617 1/20 0.35
NTRK3 Q16288 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
AURKB Q96GD4 1/20 0.35

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) SLC2A1DHFRPAX8DHODH
Trifluoroacetic Acid SCHEMBL4689915 0.91 SLC2A1 (0.41) SLC2A1DHFRTPH1TPH2PAX8
Trifluoroacetic Acid SCHEMBL4692155 0.91 DHFR (0.40) SLC2A1DHFRPAX8PRKD3FLT3
SCHEMBL4688080 0.90 DHFR (0.48) SLC2A1DHFRF2RCSF1RFGFR1
Trifluoroacetic Acid SCHEMBL4692005 0.90 MAP4K4 (0.41) SLC2A1DHFRRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4692244 0.89 DHFR (0.42) SLC2A1DHFRPAX8ADORA1HSP90AA1
Trifluoroacetic Acid SCHEMBL4688071 0.89 DHFR (0.42) SLC2A1DHFRF2RHSP90AA1
Trifluoroacetic Acid SCHEMBL4690937 0.89 DHFR (0.52) SLC2A1DHFRPAX8KDR
Trifluoroacetic Acid SCHEMBL4693879 0.88 DHFR (0.38) SLC2A1DHFRF2RPAX8KDR
Trifluoroacetic Acid SCHEMBL4689614 0.88 BACE1 (0.40) SLC2A1DHFRPAX8

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 271/4885DHFR 289/4885TPH1 1890/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C SLC2A1 298/4885DHFR 339/4885TPH1 1331/4885

“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.