Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4692041

Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccccc3Cl)c21.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.41
SLC2A1 P11166 3/20 0.36
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
PAX8 Q06710 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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 SCHEMBL5396524 0.93 DHFR (0.39) DHFRSLC2A1PAX8SCN10A
SCHEMBL4690589 0.90 DHFR (0.49) DHFRSLC2A1DPP4DPP8
Trifluoroacetic Acid SCHEMBL4691132 0.90 DHFR (0.40) DHFRDPP4DPP8
Trifluoroacetic Acid SCHEMBL4694171 0.89 DHFR (0.41) DHFRSLC2A1GRM2PAX8
Trifluoroacetic Acid SCHEMBL4692009 0.89 DHFR (0.46) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4690346 0.89 DHFR (0.41) DHFRSLC2A1KMT2APAX8TLR7
Trifluoroacetic Acid SCHEMBL4690832 0.88 DHFR (0.40) DHFRSLC2A1PAX8TLR7
Trifluoroacetic Acid SCHEMBL4692244 0.86 DHFR (0.42) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4688889 0.86 DHFR (0.39) DHFRSLC2A1SCN10A
Trifluoroacetic Acid SCHEMBL4691901 0.86 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 289/4885SLC2A1 271/4885KMT2A 1614/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885KMT2A 1707/4885

“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.