Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2199668

COc1nc2c(N)nc(OCCC(C)C)nc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
NOS1 P29475 1/20 0.30
ACACB O00763 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
SCHEMBL12157553 0.89 ADORA2A (0.38) ADORA2AADORA2BCDK1CCNB1CCNA2
Trifluoroacetic Acid SCHEMBL2198027 0.88 PDE2A (0.31)
Trifluoroacetic Acid SCHEMBL1146697 0.88 TLR7 (0.37) NOS1
Trifluoroacetic Acid SCHEMBL566788 0.86 TLR7 (0.39)
Trifluoroacetic Acid SCHEMBL434419 0.85 TLR7 (0.33) NOS1
Trifluoroacetic Acid SCHEMBL2200389 0.85 NOS1 (0.30) NOS1
Trifluoroacetic Acid SCHEMBL2198801 0.84 ADORA2A (0.33) ADORA2AADORA2BACACB
Trifluoroacetic Acid SCHEMBL2198204 0.84 AXL (0.34)
Trifluoroacetic Acid SCHEMBL566045 0.83 TLR7 (0.36)
Trifluoroacetic Acid SCHEMBL29697218 0.83 TLR7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US 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
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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885CDK1 2708/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885CDK1 2708/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ADORA2A 54/4885ADORA2B 33/4885CDK1 594/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885CDK1 2708/4885

“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.