Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1402018

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.53
ADORA3 P0DMS8 8/20 0.53
ADORA1 P30542 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ADORA2B P29275 1/20 0.34
CDK1 P06493 1/20 0.34
CDK5 Q00535 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
Hydrochloric Acid SCHEMBL2883276 0.94 ADORA2A (0.57) ADORA2AADORA3ADORA1CCNE2CCNA2
Trifluoroacetic Acid SCHEMBL243065 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1HRH4HRH3
SCHEMBL1402020 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA1CCNE2CCNA2
Trifluoroacetic Acid SCHEMBL1402085 0.88 ADORA2A (0.48) ADORA2AADORA3ADORA1HRH4HRH3
SCHEMBL10156293 0.88 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10155748 0.88 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL2887186 0.87 ADORA2A (0.58) ADORA2AADORA3ADORA1CCNE2CCNA2
Trifluoroacetic Acid SCHEMBL4112791 0.86 ADORA2A (0.52) ADORA2AADORA3ADORA1CCNE2CCNA2
Trifluoroacetic Acid SCHEMBL4116553 0.85 ADORA2A (0.51) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL4111497 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA1CCNE2CCNA2

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
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-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US 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 (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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885

“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.