Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4840432

NC(=O)C1CCN(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
CHEK2 O96017 4/20 0.46
MCHR1 Q99705 1/20 0.44
TBK1 Q9UHD2 6/20 0.42
IKBKE Q14164 3/20 0.42
CDK2 P24941 1/20 0.42
AURKB Q96GD4 1/20 0.42
ACHE P22303 4/20 0.41
PARP1 P09874 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL4838273 0.94 CHEK2 (0.51) LTA4HCHEK2MCHR1TBK1IKBKE
Trifluoroacetic Acid SCHEMBL4846269 0.91 CHEK2 (0.44) CHEK2TBK1IKBKECDK2AURKB
Trifluoroacetic Acid SCHEMBL4835045 0.91 CHEK2 (0.46) LTA4HCHEK2TBK1IKBKECDK2
Trifluoroacetic Acid SCHEMBL5258099 0.90 TBK1 (0.44) LTA4HCHEK2TBK1IKBKEACHE
Trifluoroacetic Acid SCHEMBL4842116 0.89 CHEK2 (0.53) CHEK2TBK1IKBKECDK2AURKB
Trifluoroacetic Acid SCHEMBL4834494 0.88 LTA4H (0.43) LTA4HCHEK2TBK1IKBKEACHE
Trifluoroacetic Acid SCHEMBL4841950 0.88 SCN1A (0.44)
Trifluoroacetic Acid SCHEMBL4843197 0.88 TBK1 (0.51) CHEK2TBK1IKBKEACHE
Trifluoroacetic Acid SCHEMBL4841456 0.88 CHEK2 (0.45) CHEK2TBK1IKBKEACHE
Trifluoroacetic Acid SCHEMBL4844127 0.88 CHEK2 (0.42) LTA4HCHEK2TBK1IKBKECDK2

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 LTA4H 2694/4885CHEK2 309/4885MCHR1 3380/4885

“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.