Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3729469

O=C(O)C(F)(F)F.O=C1N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C2(CC2)N1Cc1ccncc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.46
GCGR P47871 2/20 0.39
MCHR1 Q99705 2/20 0.39
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NAMPT P43490 1/20 0.36
CYP3A4 P08684 3/20 0.35
USP2 O75604 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2939987 0.94 IGF1R (0.50) IGF1RGCGRMCHR1CYP3A4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2939347 0.86 IGF1R (0.47) IGF1RGCGRMCHR1NAMPTCYP3A4
Trifluoroacetic Acid SCHEMBL3724563 0.86 IGF1R (0.49) IGF1RGCGRMCHR1PPARGPPARD
SCHEMBL2941320 0.84 IGF1R (0.48) IGF1RGCGR
Trifluoroacetic Acid SCHEMBL2936778 0.83 IGF1R (0.67) IGF1RGCGR
SCHEMBL2932109 0.82 IGF1R (0.56) IGF1R
SCHEMBL2932850 0.82 IGF1R (0.49) IGF1RGCGRMCHR1NAMPTCYP3A4
SCHEMBL2939872 0.82 IGF1R (0.48) IGF1R
SCHEMBL2939344 0.81 IGF1R (0.46) IGF1RGCGRMCHR1NAMPTCYP3A4
Trifluoroacetic Acid SCHEMBL2932692 0.81 IGF1R (0.71) IGF1RGCGRMCHR1NAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 306/4885GCGR 2791/4885MCHR1 2418/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885GCGR 2462/4885MCHR1 4505/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885GCGR 2407/4885MCHR1 4236/4885

“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.