Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3153802

CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](N)C5)nc43)[C@H](O)[C@@H]2O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.58
ADORA3 P0DMS8 8/20 0.50
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

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
SCHEMBL3157159 0.95 ADORA2A (0.63) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL589459 0.95 ADORA2A (0.63) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL589460 0.95 ADORA2A (0.63) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL591211 0.94 ADORA2A (0.51) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL589619 0.92 ADORA2A (0.56) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL589063 0.91 ADORA2A (0.56) ADORA2AADORA3ADORA1
SCHEMBL589505 0.89 ADORA2A (0.55) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL589506 0.89 ADORA2A (0.55) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10196118 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA1
SCHEMBL10156344 0.89 ADORA2A (0.60) 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-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 2/4885CCNE2 2913/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885CCNE2 1717/4885

“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.