Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL710265

CC(C)=CCOc1ccc(OCc2ccccc2)cc1-c1nc2cccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
CYP3A4 P08684 1/20 0.37
PPARG P37231 4/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CHEK2 O96017 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9071848 0.93 CYP3A4 (0.42) MAOBMAOACYP3A4PPARGALOX5
Trifluoroacetic Acid SCHEMBL709554 0.91 CYP3A4 (0.43) MAOBMAOACYP3A4PPARGALOX5
Trifluoroacetic Acid SCHEMBL711595 0.87 LRRK2 (0.43) CYP3A4PPARGALOX5PSEN1FFAR1
Trifluoroacetic Acid SCHEMBL712956 0.86 GPR132 (0.45) PPARGALOX5PSEN1PPARDGPR132
Trifluoroacetic Acid SCHEMBL713332 0.86 KMT2A (0.41) CYP3A4GPR132PDE5APDE4APDE4B
Trifluoroacetic Acid SCHEMBL710853 0.86 PPARG (0.39) MAOBMAOACYP3A4PPARGCHEK2
Trifluoroacetic Acid SCHEMBL711385 0.86 CYP3A4 (0.39) MAOBCYP3A4PPARDGPR132CHEK2
Trifluoroacetic Acid SCHEMBL709855 0.84 SMO (0.41) MAOBCYP3A4PPARGFFAR1PPARD
Trifluoroacetic Acid SCHEMBL712591 0.84 PDE5A (0.41) CYP3A4PPARGFFAR1PPARDGPR132
Trifluoroacetic Acid SCHEMBL711971 0.83 CYP3A4 (0.43) CYP3A4PDE5APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAOB 1046/4885MAOA 1361/4885CYP3A4 193/4885

“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.