Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1731674

CCc1ccc2c(n1)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 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
F2R P25116 6/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.30
RBP4 P02753 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
SCHEMBL1732042 0.96 PTGDR2 (0.41) PTGDR2F2RMEN1KMT2ATHRA
Bromide SCHEMBL5481823 0.95 PTGDR2 (0.40) PTGDR2F2RMEN1KMT2ATHRA
SCHEMBL1731680 0.89 F2R (0.35) F2RTHRATHRBKDM4EMAPT
Bromide SCHEMBL1729755 0.87 THRA (0.39) PTGDR2F2RMEN1KMT2ATHRA
SCHEMBL1729531 0.85 F2R (0.38) F2RTHRATHRBKDM4EMAPT
Hydrochloric Acid SCHEMBL1729541 0.85 PTGDR2 (0.41) PTGDR2F2RMEN1KMT2ATHRA
Bromide SCHEMBL5490645 0.85 F2R (0.39) F2RTHRATHRBKDM4EMAPT
Bromide SCHEMBL7612595 0.84 F2R (0.46) F2RMEN1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1729443 0.83 F2R (0.36) F2R
Bromide SCHEMBL1729677 0.82 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1

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