Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589964

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ NOS2 P35228 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ HRH2 P25021 5/20 0.33
▸ HRH1 P35367 5/20 0.33
▸ HRH4 Q9H3N8 5/20 0.33
▸ HRH3 Q9Y5N1 5/20 0.33
▸ EPHX1 P07099 5/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL4856595 0.87 NOS2 (0.44) EPHX2NOS2EPHX1PRMT1
Trifluoroacetic Acid SCHEMBL2887267 0.82 EPHX2 (0.35) EPHX2NOS2KDM4CHRH2HRH1
Trifluoroacetic Acid SCHEMBL2887272 0.82 EPHX2 (0.38) EPHX2NOS2KDM4CHRH2HRH1
Trifluoroacetic Acid SCHEMBL589966 0.79 EPHX2 (0.43) EPHX2KDM4CHRH2HRH1HRH4
Trifluoroacetic Acid SCHEMBL16718051 0.76 CHIT1 (0.33) NOS2S1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL590524 0.73 HDAC3 (0.35) NOS2RAB9A
Trifluoroacetic Acid SCHEMBL5069426 0.73 FFAR3 (0.42) NOS2
SCHEMBL7259183 0.73 EPHX2 (0.58) EPHX2NOS2EPHX1PRMT1S1PR1
Trifluoroacetic Acid SCHEMBL7045090 0.73 FFAR3 (0.42) NOS2
Trifluoroacetic Acid SCHEMBL3156817 0.72 KDM4C (0.47) NOS2KDM4CHRH2HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX2 1266/4885NOS2 1439/4885KDM4C 4811/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX2 1216/4885NOS2 219/4885KDM4C 3843/4885

“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.