Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729323

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc(N(C)CC(=O)O)c(C(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.58
PDE5A O76074 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
Bromide SCHEMBL1729635 0.96 F2R (0.60) F2RPDE5ATHRATHRB
Trifluoroacetic Acid SCHEMBL1729533 0.92 F2R (0.57) F2RTHRATHRB
SCHEMBL1729326 0.90 F2R (0.55) F2R
Bromide SCHEMBL1729629 0.88 F2R (0.59) F2R
Bromide SCHEMBL1731612 0.86 F2R (0.59) F2RTHRATHRB
SCHEMBL1729536 0.85 F2R (0.56) F2RTHRATHRB
Bromide SCHEMBL1730147 0.84 F2R (0.59) F2RTHRATHRB
Trifluoroacetic Acid SCHEMBL1729472 0.84 F2R (0.64) F2R
Bromide SCHEMBL1729499 0.83 F2R (0.62) F2RPDE5ATHRATHRB
Bromide SCHEMBL1732000 0.83 F2R (0.64) F2RPDE5A

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 2290/4885PDE5A 3106/4885THRA 2030/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885PDE5A 3105/4885THRA 2034/4885

“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.