Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4842729

CN(C)c1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.52
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GUSB P08236 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KIF11 P52732 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37

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 SCHEMBL4842220 0.88 AURKA (0.51) AURKAKDM4ENPC1GUSBMAPT
Trifluoroacetic Acid SCHEMBL4834909 0.85 HDAC6 (0.47) KDM4EMAPTMMP2MMP9MMP8
Trifluoroacetic Acid SCHEMBL4842876 0.85 CHEK2 (0.45) KDM4ENPC1GUSBRAB9AMMP2
Trifluoroacetic Acid SCHEMBL5260040 0.84 ALDH1A1 (0.48) KDM4ENPC1MAPTRAB9AMMP2
Trifluoroacetic Acid SCHEMBL4838856 0.84 TBK1 (0.43) NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4845932 0.83 DGAT1 (0.45) CCNB2CDK1CCNB1GSK3AGSK3B
Trifluoroacetic Acid SCHEMBL4835232 0.82 HDAC3 (0.50) MMP2MMP9MMP8MMP13CHEK2
Trifluoroacetic Acid SCHEMBL4844122 0.80 HDAC6 (0.42) CHEK2
Trifluoroacetic Acid SCHEMBL4838225 0.80 IKBKE (0.43) AURKAKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL4843644 0.79 PIN1 (0.49) MAPTPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 AURKA 512/4885KDM4E 2903/4885NPC1 2655/4885

“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.