Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL241707

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CCN(c3ccccn3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.63
USP30 Q70CQ3 6/20 0.54
EPHX1 P07099 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
LMNA P02545 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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 SCHEMBL3149339 0.80 DPP4 (0.52) GPR119LMNACA12CA1CA2
Trifluoroacetic Acid SCHEMBL3162465 0.78 DPP4 (0.47) GPR119CKS1BSKP1SKP2LMNA
SCHEMBL649039 0.78 CKS1B (0.65) GPR119CKS1BSKP1SKP2LMNA
SCHEMBL3487749 0.78 GPR119 (1.00) GPR119
Trifluoroacetic Acid SCHEMBL3149330 0.78 DPP4 (0.48) LMNACA12CA1CA2CA4
Trifluoroacetic Acid SCHEMBL3162471 0.77 DPP4 (0.46) GPR119CKS1BSKP1SKP2LMNA
SCHEMBL239933 0.77 GPR119 (0.63) GPR119USP30CKS1BSKP1SKP2
SCHEMBL1401967 0.76 GPR119 (0.58) GPR119CKS1BSKP1SKP2CA12
SCHEMBL1401964 0.76 GPR119 (0.58) GPR119CKS1BSKP1SKP2CA12
SCHEMBL359214 0.76 CA12 (0.55) GPR119USP30LMNACA12CA1

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 9 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-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP 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 GPR119 1142/4885USP30 3965/4885EPHX1 2576/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885USP30 3965/4885EPHX1 2576/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885USP30 3965/4885EPHX1 2576/4885

“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.