Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729309

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(O)c(C(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.55
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRAF P15056 2/20 0.35
GAA P10253 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
RAF1 P04049 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
Trifluoroacetic Acid SCHEMBL1729575 0.91 F2R (0.58) F2RALDH1A1L3MBTL1SMN1; SMN2BRAF
Trifluoroacetic Acid SCHEMBL1730794 0.90 F2R (0.45) F2RALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL1730664 0.89 F2R (0.49) F2RGAAMAPT
SCHEMBL1729310 0.89 F2R (0.60) F2RALDH1A1L3MBTL1SMN1; SMN2BRAF
Bromide SCHEMBL1731007 0.88 F2R (0.65) F2RALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL14449142 0.88 F2R (0.69) F2RALDH1A1L3MBTL1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL1729316 0.87 F2R (0.43) F2RSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL1729292 0.87 F2R (0.42) F2RALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL1729157 0.87 F2R (0.69) F2RALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL1729578 0.86 F2R (0.56) F2RALDH1A1L3MBTL1SMN1; SMN2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP 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 (2 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 443/4885L3MBTL1 3538/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885ALDH1A1 437/4885L3MBTL1 3543/4885

“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.