Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3739554

O=C(O)C(F)(F)F.O=C1[C@@H](Cc2ccccc2)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.69
TACR1 P25103 5/20 0.37
HDAC6 Q9UBN7 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 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
SCHEMBL2931269 0.96 IGF1R (0.74) IGF1RTACR1HDAC6PTGDR2HSD11B1
SCHEMBL2931273 0.96 IGF1R (0.74) IGF1RTACR1HDAC6PTGDR2HSD11B1
Trifluoroacetic Acid SCHEMBL3724562 0.95 IGF1R (0.65) IGF1RTACR1HDAC6PTGDR2HSD11B1
Trifluoroacetic Acid SCHEMBL2935701 0.95 IGF1R (0.65) IGF1RTACR1HDAC6PTGDR2HSD11B1
Trifluoroacetic Acid SCHEMBL3726914 0.91 IGF1R (0.66) IGF1RTACR1HDAC6PTGDR2HSD11B1
SCHEMBL2934912 0.91 IGF1R (0.70) IGF1RTACR1HDAC6PTGDR2HSD11B1
SCHEMBL2934906 0.91 IGF1R (0.70) IGF1RTACR1HDAC6PTGDR2HSD11B1
Trifluoroacetic Acid SCHEMBL3730823 0.89 IGF1R (0.63) IGF1RTACR1PTGDR2HSD11B1MAPK1
SCHEMBL3724561 0.89 IGF1R (0.63) IGF1RTACR1HDAC6PTGDR2HSD11B1
Trifluoroacetic Acid SCHEMBL3729731 0.89 IGF1R (0.69) IGF1RHDAC6PTGDR2HSD11B1MAPK1

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 306/4885TACR1 1381/4885HDAC6 1476/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885TACR1 4003/4885HDAC6 1416/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885TACR1 3588/4885HDAC6 1369/4885

“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.