Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1748636

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCCN3CCCN(C)CC3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.35
▸ KDR P35968 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ MET P08581 3/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ HTR6 P50406 4/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CACNA1B Q00975 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ TLR8 Q9NR97 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 SCHEMBL1749281 0.93 PTGDR2 (0.36) PTGDR2HTR6HTR7GSK3BTP53
SCHEMBL1749282 0.89 HTR7 (0.35) PTGDR2KDREGFRMETPDGFRB
SCHEMBL5819132 0.87 HPGD (0.38) PTGDR2HTR6HTR7GSK3BTP53
SCHEMBL1748998 0.83 GSK3B (0.37) KDREGFRMETPDGFRBKIT
Trifluoroacetic Acid SCHEMBL1748603 0.83 PTGDR2 (0.36) PTGDR2TP53
SCHEMBL27687962 0.83 PTGDR2 (0.43) PTGDR2TP53
SCHEMBL1748692 0.82 GSK3B (0.42) PTGDR2KDREGFRFLT3GSK3B
SCHEMBL1748951 0.82 TP53 (0.41) PTGDR2GSK3BTP53QPCT
SCHEMBL5824105 0.81 PTGDR2 (0.44) PTGDR2TP53
SCHEMBL1748894 0.81 TP53 (0.42) PTGDR2GSK3BTP53QPCT

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
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 — — US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 — — US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 — — US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 — — 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885KDR 513/4885EGFR 569/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885KDR 513/4885EGFR 569/4885

“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.