Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589376

Cc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(NCCc5ccccc5)nc43)[C@H](O)[C@@H]2O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.68
ADORA3 P0DMS8 4/20 0.68
ADORA2B P29275 5/20 0.51
ADORA1 P30542 4/20 0.51
TMIGD3 P0DMS9 2/20 0.48
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 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
SCHEMBL589377 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1TMIGD3
SCHEMBL589378 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1TMIGD3
SCHEMBL590551 0.86 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1TMIGD3
Trifluoroacetic Acid SCHEMBL1402076 0.82 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1TMIGD3
Trifluoroacetic Acid SCHEMBL589450 0.81 ADORA3 (0.56) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL589275 0.81 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL588605 0.81 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL590497 0.81 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL591104 0.81 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL448801 0.79 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1TMIGD3

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-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-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

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 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 4/4885

“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.