Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4692220

Cn1ccc2c3c(N)nc(N)nc3cc(-c3csc4ccccc34)c21.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
APP P05067 2/20 0.35
SLC2A1 P11166 2/20 0.34
CYP2C9 P11712 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
CDC7 O00311 1/20 0.33
TGFBR1 P36897 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC2 Q92769 1/20 0.32
PAX8 Q06710 1/20 0.32
METTL3 Q86U44 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
SCHEMBL4687393 0.91 DHFR (0.45) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4690346 0.85 DHFR (0.41) DHFRSLC2A1TLR7PAX8
Trifluoroacetic Acid SCHEMBL4694171 0.84 DHFR (0.41) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4692009 0.84 DHFR (0.46) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4691267 0.84 DHFR (0.38) DHFRPTGS1PTGS2SLC2A1HDAC2
Trifluoroacetic Acid SCHEMBL4692041 0.83 DHFR (0.41) DHFRSLC2A1TLR7PAX8
Trifluoroacetic Acid SCHEMBL4692244 0.83 DHFR (0.42) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4690832 0.83 DHFR (0.40) DHFRSLC2A1TLR7PAX8
Trifluoroacetic Acid SCHEMBL4688889 0.81 DHFR (0.39) DHFRSLC2A1KCNH2
Trifluoroacetic Acid SCHEMBL4691901 0.81 DHFR (0.40) 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 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 289/4885PTGS1 3659/4885PTGS2 3746/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885PTGS1 3821/4885PTGS2 3799/4885

“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.