Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1748808

COc1cc2c(-c3cc4c(CNc5ccnn5C)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.33
IGF1R P08069 1/20 0.33
EED O75530 2/20 0.32
SCN9A Q15858 4/20 0.32
DPP4 P27487 2/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
TP53 P04637 2/20 0.30
PI4KB Q9UBF8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5793402 0.94 IGF1R (0.36) PTGDR2IGF1REEDSCN9ATP53
SCHEMBL1748804 0.84 IGF1R (0.39) PTGDR2IGF1REEDSCN9ATP53
SCHEMBL1750570 0.82 IGF1R (0.34) PTGDR2IGF1REEDSCN9ATP53
SCHEMBL1748807 0.82 PTGDR2 (0.31) PTGDR2IGF1RTP53
SCHEMBL1749798 0.81 PTGDR2 (0.39) PTGDR2IGF1RSCN9ATP53
SCHEMBL1749211 0.80 IGF1R (0.39) PTGDR2IGF1REEDSCN9ATP53
SCHEMBL1749257 0.80 IGF1R (0.39) PTGDR2IGF1REEDTP53ALDH1A1
SCHEMBL1748824 0.80 IGF1R (0.39) PTGDR2IGF1REEDTP53SMN1; SMN2
SCHEMBL1748968 0.79 IGF1R (0.37) PTGDR2IGF1REEDTP53ALDH1A1
SCHEMBL1748813 0.79 IGF1R (0.37) PTGDR2IGF1REEDSCN9ATP53

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 806/4885IGF1R 817/4885EED 4472/4885
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 806/4885IGF1R 817/4885EED 4472/4885

“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.