Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4844696

COc1cccc(N2CCN(CC(O)COc3ccc(-c4nc5cc(Br)cnc5[nH]4)cc3)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.56
KCNH2 Q12809 1/20 0.56
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDR P35968 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ABCB1 P08183 2/20 0.46
HTR7 P34969 2/20 0.45
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NLRP3 Q96P20 1/20 0.43
IGF1R P08069 1/20 0.42

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
SCHEMBL4838638 0.94 CACNA1G (0.59) CACNA1GKCNH2MAPTMAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL4844675 0.93 HTR7 (0.49) CACNA1GKCNH2MAPTMAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL4840427 0.89 DRD2 (0.47) MAPTHSD17B10MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL4841832 0.87 NPSR1 (0.39) MAPTMAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL5257212 0.87 MAPT (0.54) KCNH2MAPTMAPK1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL4843551 0.86 ALDH1A1 (0.40) CACNA1GKCNH2MAPTMAPK1LMNA
Trifluoroacetic Acid SCHEMBL4842213 0.86 POLB (0.48) MAPTMAPK1L3MBTL1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5258064 0.86 KDM4E (0.55) MAPTMAPK1LMNASMN1; SMN2HSD17B10
Trifluoroacetic Acid SCHEMBL4844160 0.85 ALDH1A1 (0.49) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6218373 0.85 CACNA1G (0.49) CACNA1GKCNH2MAPTMAPK1L3MBTL1

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 CACNA1G 1055/4885KCNH2 497/4885MAPT 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.