Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3723547

O=C(O)C(F)(F)F.O=C1[C@@H](Cc2csc3ccccc23)N(Cc2ccncc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.46
HDAC6 Q9UBN7 4/20 0.36
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL2937762 0.95 IGF1R (0.50) IGF1RHDAC6GAAPTGDR2KMT2A
SCHEMBL2937759 0.95 IGF1R (0.50) IGF1RHDAC6GAAPTGDR2KMT2A
Trifluoroacetic Acid SCHEMBL3730823 0.88 IGF1R (0.63) IGF1RPTGDR2KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL3724828 0.87 HDAC6 (0.47) IGF1RHDAC6GAATP53POLB
Trifluoroacetic Acid SCHEMBL3728810 0.87 IGF1R (0.42) IGF1RHDAC6GAAKMT2AMEN1
SCHEMBL2937105 0.83 IGF1R (0.69) IGF1RGAAKMT2AMEN1MAPT
SCHEMBL2937103 0.83 IGF1R (0.69) IGF1RGAAKMT2AMEN1MAPT
SCHEMBL2940925 0.82 IGF1R (0.50) IGF1RHDAC6GAATP53POLB
SCHEMBL2940931 0.82 IGF1R (0.50) IGF1RHDAC6GAATP53POLB
Trifluoroacetic Acid SCHEMBL3728277 0.82 HDAC6 (0.42) IGF1RHDAC6GAAPTGDR2KMT2A

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 306/4885HDAC6 1476/4885GAA 3505/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885HDAC6 1416/4885GAA 1964/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885HDAC6 1369/4885GAA 2768/4885

“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.