Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3154232

NC1CCC(N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.35
DPP8 Q6V1X1 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
DPP4 P27487 3/20 0.33
GABRR1 P24046 1/20 0.32
DPP9 Q86TI2 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
F2 P00734 3/20 0.31
PRSS1 P07477 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31

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 SCHEMBL28133460 1.00 OAT (0.35) OATDPP8DPP7DPP4GABRR1
Trifluoroacetic Acid SCHEMBL3025153 0.97 OAT (0.36) OATDPP8DPP7DPP4GABRR1
Trifluoroacetic Acid SCHEMBL3708706 0.92 OAT (0.34) OATDPP8DPP7DPP4GABRR1
Trifluoroacetic Acid SCHEMBL4543549 0.91 EPHX2 (0.33) OAT
Trifluoroacetic Acid SCHEMBL4269674 0.91 EPHX2 (0.33) OAT
Trifluoroacetic Acid SCHEMBL3043598 0.90 MMP8 (0.33) OATDPP8DPP7DPP4DPP9
Cycloheptanamine SCHEMBL27746259 0.87 ALDH1A1 (0.36) F2PRSS1ALDH1A1
Cyclohexylamine SCHEMBL1787821 0.87 ALDH1A1 (0.36) F2PRSS1ALDH1A1
Trifluoroacetic Acid SCHEMBL2693534 0.87 OAT (0.30) OAT
Trifluoroacetic Acid SCHEMBL3154223 0.87 GAA (0.35) OATL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107200749-B DNA-PK inhibitor 沃泰克斯药物股份有限公司 2019-09-03 CN disclosed
CN-107200749-A DNA PK inhibitor 沃泰克斯药物股份有限公司 2017-09-26 CN disclosed
CN-105246883-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2017-07-21 CN disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
CN-101426482-A Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2009-05-06 CN disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP 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
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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 OAT 492/4885DPP8 1429/4885DPP7 1731/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 OAT 802/4885DPP8 3517/4885DPP7 4107/4885

“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.