Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3149339

NC1CCC(NC(=O)NC2CCN(c3ccccn3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
DRD2 P14416 5/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
EPHX2 P34913 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GPR6 P46095 1/20 0.43

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 SCHEMBL3149330 0.89 DPP4 (0.48) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3904463 0.87 DPP4 (0.61) DPP4DPP8DPP9DPP7ALDH1A1
Trifluoroacetic Acid SCHEMBL2889124 0.84 DPP4 (0.48) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL2889125 0.84 DPP4 (0.50) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3162465 0.83 DPP4 (0.47) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3162471 0.83 DPP4 (0.46) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3149600 0.83 DPP4 (0.48) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3149597 0.83 DRD2 (0.48) DPP4DPP8DPP9DPP7DRD2
SCHEMBL13890887 0.80 LMNA (0.55) DRD2CA12CA1CA2CA4
SCHEMBL1908729 0.80 CKS1B (0.56) DRD2CA12CA1CA2CA4

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 6 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
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 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 (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 DPP4 1805/4885DPP8 1429/4885DPP9 2031/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 DPP4 4175/4885DPP8 3517/4885DPP9 4251/4885

“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.