Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL567586

CCCCn1c(N)nc(N)c2nc(OC)nc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PAX8 Q06710 1/20 0.34
TLR8 Q9NR97 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRK6 P43250 2/20 0.32
AKT1 P31749 1/20 0.32
ROCK1 Q13464 1/20 0.32

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 SCHEMBL566796 0.78 ACHE (0.33)
Trifluoroacetic Acid SCHEMBL566664 0.68 GRK6 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL28535509 0.66 TSHR (0.37) MEN1KMT2ANPSR1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL565836 0.65 S1PR4 (0.33) PAX8ATM
Trifluoroacetic Acid SCHEMBL20701762 0.62 HCAR3 (0.32)
Trifluoroacetic Acid SCHEMBL3273685 0.58 FAAH (0.61) MEN1CYP1A2KMT2AALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL29581339 0.58 FAAH (0.54) MEN1CYP1A2KMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL15378284 0.57 ALDH1A1 (0.71) KMT2ATLR8KDM4EALDH1A1SMN1; SMN2
Hexadecane SCHEMBL4765353 0.57 FAAH (0.62) MEN1CYP1A2KMT2AALDH1A1HSD17B10
Octane SCHEMBL1696265 0.57 FAAH (0.62) MEN1CYP1A2KMT2AALDH1A1HSD17B10

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 26 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
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-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US 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-2010018133-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES 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 (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-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R MEN1 1772/4885CYP1A2 2495/4885CYP3A4 2594/4885
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 MEN1 876/4885CYP1A2 426/4885CYP3A4 598/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 MEN1 2612/4885CYP1A2 220/4885CYP3A4 381/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 MEN1 322/4885CYP1A2 2807/4885CYP3A4 3182/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 MEN1 322/4885CYP1A2 2807/4885CYP3A4 3182/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 MEN1 322/4885CYP1A2 2807/4885CYP3A4 3182/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 MEN1 162/4885CYP1A2 265/4885CYP3A4 297/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 MEN1 322/4885CYP1A2 2807/4885CYP3A4 3182/4885

“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.