Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL711518

Cn1ccnc1COc1cc(OCc2ccc(S(C)(=O)=O)cc2)cc(-c2nc3cccnc3[nH]2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5AP P20292 2/20 0.35
PTGS2 P35354 1/20 0.34
ENPP2 Q13822 1/20 0.34
NOS1 P29475 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
FFAR2 O15552 1/20 0.33
F10 P00742 1/20 0.33
BRD4 O60885 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
FFAR1 O14842 1/20 0.32
HTT P42858 1/20 0.32
ZAP70 P43403 1/20 0.32
KARS1 Q15046 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
SCHEMBL2668126 0.93 BRD4 (0.37) PDE4APDE4BPDE4CPDE4DPTGS2
Trifluoroacetic Acid SCHEMBL711504 0.91 NOS1 (0.35) NOS1FFAR1
Trifluoroacetic Acid SCHEMBL709575 0.88 SYK (0.34) NOS1FFAR1HTT
Trifluoroacetic Acid SCHEMBL712600 0.86 FAAH (0.38) ALOX5APNOS1FFAR1
Trifluoroacetic Acid SCHEMBL708256 0.86 GUCY1B2 (0.36) HTT
Trifluoroacetic Acid SCHEMBL709921 0.86 GCK (0.43) PDE4APDE4BPDE4CPDE4DPTGS2
Trifluoroacetic Acid SCHEMBL709074 0.86 NAMPT (0.36) ALOX5APENPP2NOS1
Trifluoroacetic Acid SCHEMBL718789 0.85 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DFFAR1
Trifluoroacetic Acid SCHEMBL712920 0.85 KDM4E (0.38) NOS1FFAR1
Trifluoroacetic Acid SCHEMBL711889 0.85 HDAC3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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 (1 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK PDE4A 502/4885PDE4B 468/4885PDE4C 606/4885

“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.