Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5619787

NC(c1nccs1)[C@@H]1CCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CNR2 P34972 2/20 0.33
CTSA P10619 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
PRCP P42785 1/20 0.30
TPSAB1 Q15661 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
SCHEMBL13326711 0.87 CHRM2 (0.41) AKT1CHRM2CHRM1CHRM3SLC6A2
SCHEMBL12806993 0.79 AKT1 (0.41) AKT1DPP4CHRM2CHRM1CHRM3
SCHEMBL5766513 0.75 CHRM2 (0.42) AKT1CHRM2CHRM1CHRM3SLC6A2
Trifluoroacetic Acid SCHEMBL350087 0.74 HRH4 (0.43) HRH4HRH3DPP4DPP7CHRM2
SCHEMBL15400396 0.71 ALDH1A1 (0.38) AKT1
SCHEMBL3897362 0.69 DPP4 (0.36) HRH3DPP4DPP7CTSA
Trifluoroacetic Acid SCHEMBL23216403 0.69 SLC6A2 (0.35) DPP4DPP7SLC6A2SLC6A4PRCP
Trifluoroacetic Acid SCHEMBL17262346 0.68 CHRM2 (0.42) HRH4HRH3CHRM2CHRM1CHRM3
SCHEMBL12324454 0.67 CHRM2 (0.38) AKT1CHRM2CHRM1CHRM3SLC6A2
SCHEMBL17715064 0.67 CHRM2 (0.38) AKT1CHRM2CHRM1CHRM3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP 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 (1 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 AKT1 2395/4885HRH4 197/4885HRH3 126/4885

“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.