Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2939347

O=C(O)C(F)(F)F.O=C1N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C2(CC2)N1Cc1ccncc1O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.47
MCHR1 Q99705 7/20 0.37
EGLN1 Q9GZT9 2/20 0.36
KDM4A O75164 1/20 0.36
NAMPT P43490 2/20 0.35
GCGR P47871 2/20 0.33
CYP3A4 P08684 4/20 0.32
KCNH2 Q12809 3/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
EBP Q15125 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL2934554 0.95 IGF1R (0.51) IGF1RMCHR1EGLN1KDM4ANAMPT
Trifluoroacetic Acid SCHEMBL3724563 0.90 IGF1R (0.49) IGF1RMCHR1EGLN1KDM4ANAMPT
Trifluoroacetic Acid SCHEMBL2939924 0.89 IGF1R (0.61) IGF1R
SCHEMBL2932850 0.88 IGF1R (0.49) IGF1RMCHR1EGLN1KDM4ANAMPT
Trifluoroacetic Acid SCHEMBL3729469 0.86 IGF1R (0.46) IGF1RMCHR1NAMPTGCGRCYP3A4
SCHEMBL2939159 0.85 IGF1R (0.52) IGF1RMCHR1EGLN1KDM4ANAMPT
Trifluoroacetic Acid SCHEMBL2938225 0.85 IGF1R (0.49) IGF1RMCHR1
SCHEMBL2940654 0.85 IGF1R (0.48) IGF1RMCHR1NAMPTGCGRCYP3A4
Trifluoroacetic Acid SCHEMBL2942467 0.85 GCGR (0.46) IGF1RMCHR1EGLN1KDM4AGCGR
SCHEMBL2939344 0.84 IGF1R (0.46) IGF1RMCHR1NAMPTGCGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP claimed
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 claimed
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 306/4885MCHR1 2418/4885EGLN1 4811/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885MCHR1 4505/4885EGLN1 2859/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885MCHR1 4236/4885EGLN1 3003/4885

“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.