Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729557

CCOc1nc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc(OCC(=O)O)c(C(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1729560 0.90 F2R (0.32) F2R
Hydrochloric Acid SCHEMBL1729401 0.82 F2R (0.37) F2R
Bromide SCHEMBL5490703 0.82 F2R (0.43) F2RPTGDR2MEN1KMT2A
Bromide SCHEMBL1731519 0.81 F2R (0.42) F2RPTGDR2MEN1KMT2A
Hydrochloric Acid SCHEMBL1731308 0.80 F2R (0.39) F2R
Trifluoroacetic Acid SCHEMBL1730750 0.79 F2R (0.43) F2RPTGDR2MEN1KMT2A
Hydrochloric Acid SCHEMBL1731567 0.78 F2R (0.42) F2RPTGDR2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1730949 0.77 F2R (0.43) F2R
Trifluoroacetic Acid SCHEMBL1730958 0.76 F2R (0.42) F2R
Trifluoroacetic Acid SCHEMBL5490764 0.76 F2R (0.52) F2R

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 2290/4885PTGDR2 549/4885MEN1 891/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885PTGDR2 544/4885MEN1 859/4885

“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.