Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4845932

N#Cc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.45
SOAT1 P35610 1/20 0.45
KCNH2 Q12809 1/20 0.45
RHEB Q15382 1/20 0.41
CHEK2 O96017 2/20 0.40
PRSS12 P56730 1/20 0.39
PARP1 P09874 1/20 0.38
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
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
RIPK1 Q13546 1/20 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 SCHEMBL5259008 0.84 VNN1 (0.42) MMP2MMP9MMP8MMP13HDAC6
Trifluoroacetic Acid SCHEMBL4834909 0.83 HDAC6 (0.47) CHEK2MMP2MMP9MMP8MMP13
Trifluoroacetic Acid SCHEMBL4842876 0.83 CHEK2 (0.45) CHEK2PARP1MMP2MMP9MMP8
Trifluoroacetic Acid SCHEMBL4842729 0.83 AURKA (0.52) CHEK2PARP1CCNB2CDK1CCNB1
Trifluoroacetic Acid SCHEMBL4838856 0.82 TBK1 (0.43) KCNH2
Trifluoroacetic Acid SCHEMBL5260040 0.82 ALDH1A1 (0.48) MMP2MMP9MMP8MMP13HDAC6
Trifluoroacetic Acid SCHEMBL4838225 0.80 IKBKE (0.43) DGAT1SOAT1KCNH2CHEK2PARP1
Trifluoroacetic Acid SCHEMBL4835232 0.80 HDAC3 (0.50) DGAT1CHEK2MMP2MMP9MMP8
Trifluoroacetic Acid SCHEMBL4838115 0.80 DGAT1 (0.41) DGAT1KCNH2CHEK2PARP1
Trifluoroacetic Acid SCHEMBL4834242 0.79 HDAC6 (0.40) CHEK2MMP2HDAC6

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 DGAT1 4827/4885SOAT1 1628/4885KCNH2 497/4885

“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.