Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL711385

CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2cccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MCL1 Q07820 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EDNRA P25101 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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 SCHEMBL708957 0.95 MAOB (0.36) PPARDPPARALRRK2GPR132MAOB
Trifluoroacetic Acid SCHEMBL711107 0.94 GPR132 (0.43) PPARDPPARAGPR132MMP13
Trifluoroacetic Acid SCHEMBL711950 0.93 CYP3A4 (0.39) CYP3A4MCL1PPARDPPARAEDNRA
SCHEMBL711187 0.92 CYP3A4 (0.46) CYP3A4MCL1EDNRALRRK2CBFB
Trifluoroacetic Acid SCHEMBL710214 0.91 PDE4A (0.40) MMP13
Trifluoroacetic Acid SCHEMBL709554 0.91 CYP3A4 (0.43) CYP3A4LRRK2GPR132CHEK2MAOB
Trifluoroacetic Acid SCHEMBL712435 0.90 SMO (0.40) LRRK2MAOBKDM4ECYP1A2
Trifluoroacetic Acid SCHEMBL711184 0.88 MCL1 (0.41) MCL1PPARDPPARAEDNRAGABRP
Trifluoroacetic Acid SCHEMBL710197 0.88 MAOB (0.36) MCL1GPR132MAOB
Trifluoroacetic Acid SCHEMBL711595 0.88 LRRK2 (0.43) CYP3A4LRRK2MMP13

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 CYP3A4 193/4885MCL1 4054/4885PPARD 866/4885

“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.