Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2887267

CCNC(=O)NCC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHIT1 Q13231 2/20 0.31
PPID Q08752 1/20 0.31
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
S1PR2 O95136 3/20 0.31
S1PR5 Q9H228 3/20 0.31
EPHX1 P07099 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
HRH2 P25021 2/20 0.30
HRH1 P35367 2/20 0.30
HRH4 Q9H3N8 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
METAP1 P53582 1/20 0.30
ADRB2 P07550 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
SCHEMBL12502963 0.86 EPHX2 (0.38) EPHX2PPIDEPHX1NOS2METAP1
Trifluoroacetic Acid SCHEMBL589964 0.82 EPHX2 (0.40) EPHX2S1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL23387488 0.79 MAOA (0.35) HDAC1CHIT1S1PR1S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL2887272 0.78 EPHX2 (0.38) EPHX2HDAC4HDAC1HDAC6S1PR1
Trifluoroacetic Acid SCHEMBL3156817 0.75 KDM4C (0.47) HDAC4HDAC1HDAC6S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL589966 0.75 EPHX2 (0.43) EPHX2HDAC6S1PR1S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL2883837 0.75 SIGMAR1 (0.35) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4276694 0.74 CHIT1 (0.35) CHIT1NOS1NOS2
Trifluoroacetic Acid SCHEMBL6273587 0.73 HDAC4 (0.39) HDAC4HDAC1HDAC6S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL20527407 0.73 FFAR3 (0.40) NOS1NOS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX2 1266/4885HDAC4 3955/4885HDAC1 2816/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 EPHX2 2731/4885HDAC4 2282/4885HDAC1 417/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX2 1216/4885HDAC4 3270/4885HDAC1 1630/4885

“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.