Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4528318

CNc1nc(N)nc2cc(-c3cccs3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.44
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC3 O15379 7/20 0.41
AURKB Q96GD4 2/20 0.41
ADORA2A P29274 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL4533786 0.90 ADORA2A (0.45) DHFRCCNE2CDK4CCND1CCNE1
Trifluoroacetic Acid SCHEMBL4525618 0.85 DHFR (0.52) DHFRCCNE2CDK4CCND1CCNE1
Trifluoroacetic Acid SCHEMBL4528549 0.84 DHFR (0.50) DHFRCCNE2CCNE1CDK2PTPN1
Trifluoroacetic Acid SCHEMBL4533787 0.83 HDAC2 (0.42) DHFRCCNE2CDK4CCND1CCNE1
Trifluoroacetic Acid SCHEMBL4526540 0.83 PTPN1 (0.48) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4524510 0.81 PTPN1 (0.50) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4521116 0.81 PTPN1 (0.48) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4528055 0.81 MAP4K4 (0.43) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4517302 0.80 PTPN1 (0.59) DHFRPTPN1
Trifluoroacetic Acid SCHEMBL4533714 0.80 PTPN1 (0.49) DHFRPTPN1

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
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885CCNE2 4173/4885CDK4 1631/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885CCNE2 4173/4885CDK4 1631/4885

“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.