Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589450

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.56
ADORA2A P29274 4/20 0.56
ADORA1 P30542 2/20 0.46
AHCY P23526 3/20 0.44
HSP90B1 P14625 4/20 0.43
HSP90AA1 P07900 2/20 0.43
NT5E P21589 3/20 0.43
CHKA P35790 1/20 0.41

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
SCHEMBL589452 0.88 ADORA3 (0.46) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL589451 0.88 ADORA3 (0.46) ADORA3ADORA2AADORA1AHCYHSP90B1
Trifluoroacetic Acid SCHEMBL588605 0.82 ADORA2A (0.57) ADORA3ADORA2AADORA1AHCY
Trifluoroacetic Acid SCHEMBL242557 0.82 AHCY (0.56) ADORA3ADORA2AADORA1AHCYHSP90B1
Trifluoroacetic Acid SCHEMBL293707 0.82 AHCY (0.56) ADORA3ADORA2AADORA1AHCYHSP90B1
Trifluoroacetic Acid SCHEMBL5201752 0.82 AHCY (0.56) ADORA3ADORA2AADORA1AHCYHSP90B1
Trifluoroacetic Acid SCHEMBL592231 0.82 ADORA2A (0.61) ADORA3ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL589376 0.81 ADORA2A (0.68) ADORA3ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL1401956 0.78 AHCY (0.47) ADORA3ADORA2AADORA1AHCYHSP90B1
Trifluoroacetic Acid SCHEMBL239968 0.77 ADORA3 (0.61) ADORA3ADORA2AADORA1AHCYHSP90B1

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

“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.