Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL567106

CCCC[C@H](C)Oc1nc2nc(OC)nc-2c(N)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
LNPEP Q9UIQ6 3/20 0.32
TLR7 Q9NYK1 2/20 0.31
S1PR5 Q9H228 1/20 0.30

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 SCHEMBL20548257 1.00 S1PR4 (0.33) S1PR4S1PR1LNPEPTLR7S1PR5
Trifluoroacetic Acid SCHEMBL2197595 0.94 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL2202675 0.94 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL567278 0.94 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL16872584 0.90 S1PR4 (0.32) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL20261710 0.90
Trifluoroacetic Acid SCHEMBL566660 0.90
Trifluoroacetic Acid SCHEMBL566855 0.85
Trifluoroacetic Acid SCHEMBL565836 0.83 S1PR4 (0.33) S1PR4S1PR1TLR7S1PR5
SCHEMBL1919728 0.83 MCHR1 (0.33) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10117873-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-11-06 US disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-9877968-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2016-08-11 US disclosed
US-9346806-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2016-05-24 US disclosed
EP-3000813-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2016-03-30 EP disclosed
US-9233962-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2016-01-12 US disclosed
EP-2324026-B1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2015-07-08 EP disclosed
US-20140336175-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2014-11-13 US disclosed
US-8765772-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-02-09 US disclosed
US-8067426-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2011-11-29 US disclosed
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-09-22 US disclosed
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
EP-2324025-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-05-25 EP disclosed
EP-2324026-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-05-25 EP disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
WO-2010018131-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018133-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (8 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-20140336175-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 S1PR4 594/4885S1PR1 291/4885LNPEP 2099/4885
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 S1PR4 594/4885S1PR1 291/4885LNPEP 2099/4885
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNG, IFNAR1, STING1 S1PR4 685/4885S1PR1 270/4885LNPEP 2668/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885LNPEP 1232/4885
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885LNPEP 1232/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885LNPEP 1232/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 S1PR4 1062/4885S1PR1 613/4885LNPEP 2742/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885LNPEP 1232/4885

“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.