Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4842213

CC(=O)N1CCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK2 O96017 2/20 0.39
HTR7 P34969 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB1 P08183 2/20 0.38
USP2 O75604 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4839047 0.94 POLB (0.51) POLBL3MBTL1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4841832 0.91 NPSR1 (0.39) POLBL3MBTL1MAPTTSHRHSD17B10
Trifluoroacetic Acid SCHEMBL4844160 0.90 ALDH1A1 (0.49) MAPTMEN1KMT2ATSHRUSP2
Trifluoroacetic Acid SCHEMBL4843551 0.89 ALDH1A1 (0.40) MAPTCHEK2CYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4844675 0.89 HTR7 (0.49) L3MBTL1MAPTKMT2AHSD17B10HTR7
Trifluoroacetic Acid SCHEMBL4839418 0.88 SCN1A (0.42) MEN1KMT2ATSHRUSP2NPSR1
Trifluoroacetic Acid SCHEMBL4834798 0.87 CYP4F2 (0.49) CHEK2
Trifluoroacetic Acid SCHEMBL4842369 0.87 SCN1A (0.41) MEN1KMT2ACHEK2
Trifluoroacetic Acid SCHEMBL4841950 0.86 SCN1A (0.44)
Trifluoroacetic Acid SCHEMBL4844696 0.86 CACNA1G (0.56) L3MBTL1MAPTMEN1KMT2AHSD17B10

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 POLB 2858/4885L3MBTL1 3761/4885MAPT 3669/4885

“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.