Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3730823

O=C(O)C(F)(F)F.O=C1[C@@H](Cc2csc3ccccc23)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.63
XIAP P98170 1/20 0.34
HSD11B1 P28845 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
TACR1 P25103 1/20 0.30
CMA1 P23946 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
SCHEMBL2937105 0.95 IGF1R (0.69) IGF1RXIAPHSD11B1KMT2AMEN1
SCHEMBL2937103 0.95 IGF1R (0.69) IGF1RXIAPHSD11B1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3739554 0.89 IGF1R (0.69) IGF1RHSD11B1PTGDR2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3723547 0.88 IGF1R (0.46) IGF1RPTGDR2KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL3726914 0.87 IGF1R (0.66) IGF1RXIAPHSD11B1PTGDR2KMT2A
Trifluoroacetic Acid SCHEMBL2935701 0.86 IGF1R (0.65) IGF1RXIAPHSD11B1PTGDR2KMT2A
Trifluoroacetic Acid SCHEMBL3724562 0.86 IGF1R (0.65) IGF1RXIAPHSD11B1PTGDR2KMT2A
SCHEMBL2931273 0.85 IGF1R (0.74) IGF1RHSD11B1PTGDR2KMT2AMAPK1
SCHEMBL2931269 0.85 IGF1R (0.74) IGF1RHSD11B1PTGDR2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3729731 0.85 IGF1R (0.69) IGF1RXIAPHSD11B1PTGDR2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 IGF1R 306/4885XIAP 3196/4885HSD11B1 4844/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885XIAP 1329/4885HSD11B1 2991/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885XIAP 1748/4885HSD11B1 2137/4885

“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.