Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3149196

NCCCN.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.48
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
HDAC3 O15379 1/20 0.46
GABBR2 O75899 1/20 0.46
CYP1A2 P05177 1/20 0.46
GABRA1 P14867 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRR1 P24046 1/20 0.46

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 SCHEMBL10619767 1.00 ODC1 (0.48) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL8744507 0.97 ODC1 (0.46) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL10624638 0.95 ODC1 (0.45) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL6490887 0.94 HRH4 (0.50) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL29682080 0.92 MEN1 (0.52) ODC1HRH4HRH3LMNABLM
Diaminooctane SCHEMBL31657050 0.92 MEN1 (0.52) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL31657055 0.92 MEN1 (0.52) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL31657036 0.92 MEN1 (0.52) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL10619788 0.88 HRH4 (0.41) ODC1HRH4HRH3LMNABLM
Trifluoroacetic Acid SCHEMBL3149138 0.88 HRH4 (0.41) ODC1HRH4HRH3LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO 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 (3 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 ODC1 2020/4885HRH4 190/4885HRH3 476/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ODC1 898/4885HRH4 496/4885HRH3 628/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ODC1 422/4885HRH4 181/4885HRH3 318/4885

“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.