Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2942467

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.46
MCHR1 Q99705 7/20 0.37
CYP3A4 P08684 4/20 0.35
KDM4A O75164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
NTRK1 P04629 1/20 0.34
LIPE Q05469 1/20 0.34
PPARG P37231 1/20 0.33
IGF1R P08069 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2942291 0.95 GCGR (0.45) GCGRMCHR1CYP3A4KDM4AEGLN1
Trifluoroacetic Acid SCHEMBL3733116 0.90 GCGR (0.47) GCGRMCHR1CYP3A4EGLN1PPARD
Trifluoroacetic Acid SCHEMBL2938755 0.88 IGF1R (0.46) GCGRPPARDPPARAPPARGIGF1R
SCHEMBL2942195 0.87 GCGR (0.47) GCGRMCHR1CYP3A4NTRK1LIPE
Trifluoroacetic Acid SCHEMBL2938225 0.86 IGF1R (0.49) MCHR1NTRK1IGF1R
SCHEMBL2939109 0.85 GCGR (0.44) GCGRMCHR1CYP3A4LIPEIGF1R
SCHEMBL2941501 0.85 MCHR1 (0.44) GCGRMCHR1CYP3A4IGF1R
SCHEMBL2937053 0.85 GCGR (0.44) GCGRMCHR1CYP3A4LIPEIGF1R
Trifluoroacetic Acid SCHEMBL2939347 0.85 IGF1R (0.47) GCGRMCHR1CYP3A4KDM4AEGLN1
SCHEMBL2934281 0.85 GCGR (0.43) GCGRMCHR1CYP3A4LIPEIGF1R

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 GCGR 2791/4885MCHR1 2418/4885CYP3A4 4818/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 GCGR 2462/4885MCHR1 4505/4885CYP3A4 2988/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885MCHR1 4236/4885CYP3A4 2877/4885

“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.