Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL238899

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccc(-c5ccccc5C#N)cc4)nc(N4CC[C@@H](N(C)C)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.41
ADORA3 P0DMS8 7/20 0.41
CCNE2 O96020 3/20 0.40
CCNA2 P20248 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CCNA1 P78396 3/20 0.40
CDK1 P06493 3/20 0.39
CDK5 Q00535 3/20 0.39
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NT5E P21589 2/20 0.35

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 SCHEMBL4131725 0.93 CCNE1 (0.48) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL238900 0.91 CDK2 (0.37) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10155775 0.87 CCNE2 (0.43) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10156310 0.87 CCNE2 (0.43) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL4123529 0.87 ADORA2A (0.38) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL1412170 0.86 ADORA3 (0.46) ADORA2AADORA3NT5E
SCHEMBL238901 0.86 CDK2 (0.38) ADORA3CCNE2CCNA2CCNE1CDK2
SCHEMBL10156063 0.85 ADORA2A (0.41) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL242699 0.84 ADORA2A (0.43) ADORA2AADORA3CDK1CDK5HRH4
SCHEMBL4131726 0.84 CCNE1 (0.45) ADORA2AADORA3CCNE2CCNA2CCNE1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885CCNE2 416/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885CCNE2 416/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885CCNE2 416/4885

“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.