Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3724828

O=C(O)C(F)(F)F.O=C1[C@@H](Cc2ccccc2)N(Cc2ccncc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.47
IGF1R P08069 2/20 0.47
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
GAA P10253 1/20 0.39
SMO Q99835 2/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2940925 0.95 IGF1R (0.50) HDAC6IGF1RHDAC1HDAC2HDAC8
SCHEMBL2940931 0.95 IGF1R (0.50) HDAC6IGF1RHDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL3728277 0.93 HDAC6 (0.42) HDAC6IGF1RHDAC1HDAC2HDAC8
SCHEMBL2939941 0.88 IGF1R (0.44) HDAC6IGF1RHDAC1HDAC2HDAC8
SCHEMBL2939939 0.88 IGF1R (0.44) HDAC6IGF1RHDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL3723547 0.87 IGF1R (0.46) HDAC6IGF1RHDAC1HDAC2HDAC8
SCHEMBL3728275 0.86 IGF1R (0.41) HDAC6IGF1RGAATP53LMNA
Trifluoroacetic Acid SCHEMBL3727904 0.85 IGF1R (0.58) IGF1RSMO
Trifluoroacetic Acid SCHEMBL2940273 0.85 IGF1R (0.58) IGF1RSMO
Trifluoroacetic Acid SCHEMBL2942569 0.85 IGF1R (0.58) IGF1RSMO

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 HDAC6 1476/4885IGF1R 306/4885HDAC1 2019/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 HDAC6 1416/4885IGF1R 1595/4885HDAC1 1184/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA HDAC6 1369/4885IGF1R 962/4885HDAC1 1085/4885

“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.