Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2993767

O=C(N[C@@H]1CCNC1)N[C@@H]1CCN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.58
ADORA1 P30542 5/20 0.52
ADORA3 P0DMS8 4/20 0.52
ADORA2B P29275 3/20 0.49

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
SCHEMBL10155800 0.91 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL10156319 0.91 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL4225494 0.89 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL3907185 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL4225820 0.88 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL3916265 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL4225568 0.87 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL10156090 0.87 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL4221929 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B
Trifluoroacetic Acid SCHEMBL4215954 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US claimed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP claimed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO claimed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA2A 2314/4885ADORA1 838/4885ADORA3 545/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA2A 1137/4885ADORA1 697/4885ADORA3 1044/4885

“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.