Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL565836

CCCCOc1nc2nc(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 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 7/20 0.33
S1PR1 P21453 7/20 0.33
S1PR5 Q9H228 6/20 0.33
S1PR3 Q99500 4/20 0.33
TLR7 Q9NYK1 3/20 0.33
HTR2C P28335 2/20 0.32
PAX8 Q06710 1/20 0.32
CNR2 P34972 1/20 0.31
PDE2A O00408 1/20 0.31
ATM Q13315 3/20 0.30
PTGS2 P35354 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
SCHEMBL1842343 0.89 RAB9A (0.33) TLR7
Trifluoroacetic Acid SCHEMBL2200150 0.88 HCAR2 (0.31)
Trifluoroacetic Acid SCHEMBL2195139 0.85 F11 (0.31)
Trifluoroacetic Acid SCHEMBL20548257 0.83 S1PR4 (0.33) S1PR4S1PR1S1PR5TLR7
Trifluoroacetic Acid SCHEMBL567106 0.83 S1PR4 (0.33) S1PR4S1PR1S1PR5TLR7
Trifluoroacetic Acid SCHEMBL16872584 0.82 S1PR4 (0.32) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL2197595 0.81 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL567278 0.81 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL2202675 0.81 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL566660 0.80

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
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
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
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
WO-2010018130-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
WO-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (7 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-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R S1PR4 603/4885S1PR1 480/4885S1PR5 322/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 S1PR4 847/4885S1PR1 418/4885S1PR5 687/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885S1PR5 1237/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885S1PR5 1237/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885S1PR5 1237/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 S1PR4 1062/4885S1PR1 613/4885S1PR5 830/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 S1PR4 1947/4885S1PR1 1277/4885S1PR5 1237/4885

“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.