Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL994552

O=C(O)C(F)(F)F.O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](O)CN1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KCNJ1 P48048 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL993722 0.92 TDP1 (0.45) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL993720 0.92 TDP1 (0.45) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL2513942 0.92 TDP1 (0.45) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL993723 0.92 TDP1 (0.45) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL994551 0.82 MAPT (0.40) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL994549 0.82 MAPT (0.40) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL27524691 0.82 TDP1 (0.46) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL27524690 0.82 TDP1 (0.46) TDP1ATMMAPTALDH1A1HPGD
SCHEMBL994204 0.78 TSHR (0.53) TDP1ALDH1A1KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL27533472 0.77 TSHR (0.55) TDP1ALDH1A1KMT2ASMN1; SMN2RAB9A

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
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 US disclosed
US-7732610-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. (FR) 2010-06-08 US disclosed
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 US disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 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 (5 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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885KCNJ1 2129/4885ATM 4478/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885KCNJ1 2129/4885ATM 4478/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA TDP1 2897/4885KCNJ1 2363/4885ATM 4555/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885KCNJ1 2129/4885ATM 4478/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885KCNJ1 2129/4885ATM 4478/4885

“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.