Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729241

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3CC#N)C2.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.58
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 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
SCHEMBL1730511 0.96 F2R (0.62) F2RALDH1A1GAA
Trifluoroacetic Acid SCHEMBL1730956 0.92 F2R (0.58) F2RALDH1A1GAAPKMCPT2
Trifluoroacetic Acid SCHEMBL1730507 0.90 F2R (0.66) F2R
Bromide SCHEMBL1729888 0.89 F2R (0.59) F2RALDH1A1GAA
Bromide SCHEMBL6362177 0.89 F2R (0.61) F2RALDH1A1GAACPT2CPT1A
SCHEMBL1730101 0.88 F2R (0.59) F2RALDH1A1GAACPT2CPT1A
SCHEMBL1729218 0.88 F2R (0.62) F2RALDH1A1GAACPT2CPT1A
Bromide SCHEMBL5485314 0.87 F2R (0.60) F2RALDH1A1GAACPT2CPT1A
Hydrochloric Acid SCHEMBL5481846 0.87 F2R (0.62) F2RALDH1A1GAACPT2CPT1A
SCHEMBL14469066 0.87 F2R (0.48) F2RALDH1A1GAA

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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2290/4885ALDH1A1 443/4885GAA 4867/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885ALDH1A1 437/4885GAA 4868/4885
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 F2R 8/4885ALDH1A1 2037/4885GAA 3197/4885

“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.