Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4691267

Cn1ccc2c3c(N)nc(N)nc3cc(-c3cc4ccccc4s3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
IKBKB O14920 1/20 0.35
PIK3CA P42336 2/20 0.35
PLAU P00749 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
SLC2A1 P11166 3/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
GRIN2B Q13224 1/20 0.33
HDAC2 Q92769 1/20 0.33
PIK3R1 P27986 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL4687400 0.91 DHFR (0.45) DHFRPIK3CAPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL4692220 0.84 DHFR (0.38) DHFRSLC2A1PTGS1PTGS2HDAC2
Trifluoroacetic Acid SCHEMBL4695007 0.84 DHFR (0.39) DHFRSLC2A1ALOX5PTGS1PTGS2
Trifluoroacetic Acid SCHEMBL4690346 0.83 DHFR (0.41) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4692244 0.83 DHFR (0.42) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4687401 0.83 DHFR (0.39) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4687242 0.83 DHFR (0.40) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4692009 0.82 DHFR (0.46) DHFRPIK3CDSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4694171 0.82 DHFR (0.41) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4692041 0.81 DHFR (0.41) DHFRSLC2A1PAX8

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 289/4885IKBKB 2748/4885PIK3CA 351/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885IKBKB 1994/4885PIK3CA 533/4885

“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.