Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3965086

CCCOc1nc2ccccn2c(=O)c1-c1ccc(N[C@@H]2CCNC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ATM Q13315 5/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CACNA1B Q00975 1/20 0.36
TRIM33 Q9UPN9 1/20 0.35
NTSR1 P30989 1/20 0.35
GFER P55789 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.34
CCNA1 P78396 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
PLK2 Q9NYY3 1/20 0.34

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
SCHEMBL3957415 0.93 IRAK4 (0.42) IRAK4TRIM33GFERPIM1PIM2
SCHEMBL3957413 0.93 IRAK4 (0.42) IRAK4TRIM33GFERPIM1PIM2
Trifluoroacetic Acid SCHEMBL3959540 0.90 ATM (0.40) HRH4HRH3ATMNPC1RAB9A
SCHEMBL5128320 0.82 IRAK4 (0.43) NPC1RAB9AIRAK4PIM1PIM2
SCHEMBL3955167 0.81 GFER (0.44) TRIM33GFERCCNA2CDK2
SCHEMBL5131504 0.78 IRAK4 (0.42) IRAK4PIM1PIM2
SCHEMBL5131501 0.78 IRAK4 (0.42) IRAK4PIM1PIM2
SCHEMBL5132442 0.78 IRAK4 (0.43) IRAK4GFERPIM1PIM2
SCHEMBL5132445 0.78 IRAK4 (0.43) IRAK4GFERPIM1PIM2
SCHEMBL5129270 0.78 USP30 (0.42) NPC1RAB9AGFER

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
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B HRH4 1019/4885HRH3 1326/4885ATM 4423/4885

“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.