Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL588605

Cc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(N[C@@H]5CCC[C@H]5O)nc43)[C@H](O)[C@@H]2O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.57
ADORA3 P0DMS8 4/20 0.57
AHCY P23526 5/20 0.40
ADORA1 P30542 1/20 0.34

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
SCHEMBL590421 0.93 ADORA2A (0.60) ADORA2AADORA3AHCY
SCHEMBL4367305 0.93 ADORA2A (0.60) ADORA2AADORA3AHCY
SCHEMBL588607 0.89 ADORA2A (0.47) ADORA2AADORA3AHCYADORA1
SCHEMBL588606 0.89 ADORA2A (0.47) ADORA2AADORA3AHCYADORA1
Trifluoroacetic Acid SCHEMBL589450 0.82 ADORA3 (0.56) ADORA2AADORA3AHCYADORA1
Trifluoroacetic Acid SCHEMBL589376 0.81 ADORA2A (0.68) ADORA2AADORA3ADORA1
SCHEMBL589607 0.80 ADORA2A (0.64) ADORA2AADORA3ADORA1
SCHEMBL589606 0.80 ADORA2A (0.64) ADORA2AADORA3ADORA1
SCHEMBL4669197 0.80 ADORA2A (0.64) ADORA2AADORA3ADORA1
SCHEMBL3257520 0.80 ADORA2A (0.64) ADORA2AADORA3ADORA1

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 2/4885AHCY 3517/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885AHCY 2094/4885

“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.