Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL953656

O=C(Nc1ccc(Cl)cc1N1CCNCC1)c1ccnc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
BACE1 P56817 4/20 0.45
SLC2A1 P11166 1/20 0.44
SCN9A Q15858 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KCNH2 Q12809 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SLC6A3 Q01959 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL955612 0.81 HTT (0.50) F10MEN1KMT2AIRAK4
SCHEMBL952414 0.77 F10 (0.50) F10MEN1KMT2A
SCHEMBL952678 0.77 MEN1 (0.47) BACE1MEN1KMT2A
SCHEMBL953013 0.74 SRPK1 (0.44) MEN1KMT2A
SCHEMBL953012 0.74 SRPK1 (0.44) MEN1KMT2A
SCHEMBL951730 0.73 EBP (0.43) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1462886 0.73 SLC6A3 (0.40) KCNH2IRAK4SLC6A3TAAR1
SCHEMBL951728 0.73 EBP (0.43) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL27686641 0.72 BACE1 (0.39) F10BACE1SLC2A1KMT2AHRH4
SCHEMBL952075 0.72 KDM4E (0.43) SCN9AMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 US disclosed
US-7807679-B2 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2010-10-05 US disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 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 (2 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-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS CHRM1, CHRM5, PRMT5 F10 2768/4885BACE1 4470/4885SLC2A1 4630/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 F10 3984/4885BACE1 4787/4885SLC2A1 4313/4885

“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.