Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3487055

CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N4CCC(S(=O)(=O)c5ccccc5)CC4)ccc3n2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.45
CSNK1D P48730 6/20 0.40
CSNK1E P49674 6/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KDR P35968 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL13498830 0.96 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1EPIK3CG
Trifluoroacetic Acid SCHEMBL3486132 0.87 MAP3K5 (0.48) MAP3K5CSNK1DCSNK1EDPP4DPP8
Trifluoroacetic Acid SCHEMBL3486927 0.85 CSNK1D (0.51) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486317 0.85 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1EDPP4DPP8
Trifluoroacetic Acid SCHEMBL3485546 0.84 MAP3K5 (0.46) MAP3K5CSNK1DCSNK1EDPP4DPP8
Trifluoroacetic Acid SCHEMBL3485934 0.83 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1EKDRPIK3CG
SCHEMBL13498833 0.81 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1E
SCHEMBL13498934 0.81 MAP3K5 (0.52) MAP3K5CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL3486576 0.81 MAP3K5 (0.44) MAP3K5CSNK1DCSNK1EDPP4DPP8
Trifluoroacetic Acid SCHEMBL3485628 0.81 MAP3K5 (0.45) MAP3K5CSNK1DCSNK1EDPP4DPP8

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-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest NOVO NORDISK HEALTHCARE A/G (CH) 2010-02-04 US disclosed
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
US-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest NOVO NORDISK HEALTHCARE A/G (CH) 2006-09-07 US disclosed
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides NOVO NORDISK A/S (DK) 2006-08-17 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 (5 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-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest GALE, GALNT2, GALNT1 MAP3K5 3147/4885CSNK1D 3032/4885CSNK1E 2575/4885
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides VIP, PTMS, PDGFA MAP3K5 2379/4885CSNK1D 3725/4885CSNK1E 2775/4885
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides VIP, PTMS, PDGFA MAP3K5 2379/4885CSNK1D 3725/4885CSNK1E 2775/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 MAP3K5 3147/4885CSNK1D 3032/4885CSNK1E 2575/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 MAP3K5 3147/4885CSNK1D 3032/4885CSNK1E 2575/4885

“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.