Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1402140

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(N4CC[C@@H](N)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA3 P0DMS8 8/20 0.44
CCNE2 O96020 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
ADORA1 P30542 1/20 0.42
CDK1 P06493 1/20 0.40
CDK5 Q00535 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL243104 0.92 ADORA2A (0.43) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL1402142 0.90 ADORA2A (0.40) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL1402062 0.89 ADORA2A (0.41) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10155768 0.89 ADORA2A (0.45) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10156300 0.89 ADORA2A (0.45) ADORA2AADORA3ADORA1CDK1CDK5
Trifluoroacetic Acid SCHEMBL2887186 0.87 ADORA2A (0.58) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10156055 0.86 ADORA2A (0.44) ADORA2AADORA3ADORA1CDK1CDK5
Trifluoroacetic Acid SCHEMBL1402107 0.86 ADORA2A (0.51) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL4111347 0.86 ADORA2A (0.44) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL1402040 0.86 ADORA3 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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 (1 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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885CCNE2 1832/4885

“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.