Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL566664

CCCCn1c(OC)nc2c(N)nc(N)nc21.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.40
KDM4E B2RXH2 5/20 0.40
GLA P06280 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
UBA2 Q9UBT2 2/20 0.40
HSP90AA1 P07900 5/20 0.38
HSP90AB1 P08238 5/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
THRB P10828 2/20 0.37
CASP1 P29466 2/20 0.37
RECQL P46063 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NSD2 O96028 2/20 0.37
APAF1 O14727 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL1847650 0.88 HSP90AA1 (0.42) GRK6KDM4EGLASAE1UBA2
Trifluoroacetic Acid SCHEMBL2195796 0.84 PIK3CA (0.40) KDM4EMAPTDHFRADORA2AFBP1
SCHEMBL20275365 0.72 TLR7 (0.53)
SCHEMBL4107534 0.70 TLR7 (0.48) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL728891 0.70 TLR7 (0.43)
SCHEMBL4635287 0.70 TLR7 (0.45) ALDH1A1HPGDKMT2AMEN1ALOX12
SCHEMBL1146459 0.69 TLR7 (0.49) ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL567586 0.68 MEN1 (0.34) GRK6KDM4EGLASAE1UBA2
SCHEMBL16256433 0.68 ADORA2A (0.40) GRK6KDM4EGLAHSP90AA1HSP90AB1
Trifluoroacetic Acid SCHEMBL460804 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP 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-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-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO 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
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 (5 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 GRK6 210/4885KDM4E 3304/4885GLA 1308/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 GRK6 1392/4885KDM4E 4586/4885GLA 2648/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 GRK6 218/4885KDM4E 4266/4885GLA 3634/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 GRK6 491/4885KDM4E 4312/4885GLA 1028/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 GRK6 218/4885KDM4E 4266/4885GLA 3634/4885

“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.