Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1748703

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCNCCCN(CCO)CCO)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.34
SLC2A1 P11166 1/20 0.33
TP53 P04637 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
TRIM24 O15164 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BRPF3 Q9ULD4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
APAF1 O14727 1/20 0.31
RAD52 P43351 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL5820880 0.95 TP53 (0.36) PTGDR2TP53CCNE1CDK2TRIM24
SCHEMBL1749086 0.94 PTGDR2 (0.32) PTGDR2TP53CCNE1CDK2AURKA
Trifluoroacetic Acid SCHEMBL1749281 0.85 PTGDR2 (0.36) PTGDR2TP53CCNE1CDK2SLC1A3
Trifluoroacetic Acid SCHEMBL1748603 0.84 PTGDR2 (0.36) PTGDR2TP53CCNE1CDK2SLC1A3
SCHEMBL1748692 0.83 GSK3B (0.42) PTGDR2TP53CCNE1CDK2L3MBTL1
SCHEMBL1749045 0.83 TP53 (0.42) PTGDR2TP53CCNE1CDK2L3MBTL1
SCHEMBL27687962 0.81 PTGDR2 (0.43) PTGDR2TP53CCNE1CDK2L3MBTL1
SCHEMBL5824105 0.81 PTGDR2 (0.44) PTGDR2TP53CCNE1CDK2L3MBTL1
Trifluoroacetic Acid SCHEMBL1748636 0.81 PTGDR2 (0.35) PTGDR2TP53
SCHEMBL1748914 0.80 TP53 (0.40) PTGDR2TP53CCNE1CDK2L3MBTL1

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 806/4885SLC2A1 4643/4885TP53 966/4885
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 806/4885SLC2A1 4643/4885TP53 966/4885

“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.