Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL712591

O=C(O)C(F)(F)F.c1ccc(COc2ccc(OCC3CC3)c(-c3nc4cccnc4[nH]3)c2)cc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PPARD Q03181 8/20 0.40
FFAR1 O14842 7/20 0.40
PPARG P37231 1/20 0.39
CYP3A4 P08684 1/20 0.38
S1PR1 P21453 1/20 0.38
ROCK2 O75116 1/20 0.37
OPRK1 P41145 1/20 0.37
PPARA Q07869 1/20 0.37
MELK Q14680 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36

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 SCHEMBL711286 0.93 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10206603 0.92 PDE5A (0.47) PDE5APDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL709554 0.91 CYP3A4 (0.43) PDE5APDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL711856 0.89 GPR84 (0.43) PPARDPPARGPPARA
Trifluoroacetic Acid SCHEMBL712608 0.88 GPR84 (0.41) PPARDPPARGPPARA
Trifluoroacetic Acid SCHEMBL712956 0.87 GPR132 (0.45) PPARDPPARGPPARAGPR132
Trifluoroacetic Acid SCHEMBL713332 0.86 KMT2A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL711595 0.86 LRRK2 (0.43) PDE5APDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL711953 0.85 CHEK2 (0.40) PPARDFFAR1PPARAKDM5A
Trifluoroacetic Acid SCHEMBL709855 0.85 SMO (0.41) PDE5APDE4APDE4BPDE4CPDE4D

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 PDE5A 593/4885PDE4A 502/4885PDE4B 468/4885

“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.