Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1233243

CS(=O)(=O)N1CCCn2c(nc3c(N)nc4ccccc4c32)C1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.38
TLR8 Q9NR97 6/20 0.34
LIPG Q9Y5X9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NUDT1 P36639 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
Trifluoroacetic Acid SCHEMBL1232744 0.94 LIPG (0.39) TLR7TLR8LIPGKDM4EUSP2
SCHEMBL1231786 0.92 TLR7 (0.40) TLR7TLR8KDM4EUSP2ALDH1A1
SCHEMBL12888471 0.86 TLR7 (0.41) TLR7TLR8LIPGKDM4EUSP2
SCHEMBL1233130 0.85 GBA1 (0.40) TLR7TLR8KDM4EUSP2ALDH1A1
SCHEMBL1232440 0.81 TLR7 (0.39) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL1232937 0.81 PKM (0.33) TLR7ALDH1A1TSHR
SCHEMBL1232864 0.79 HRH4 (0.38) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL1233129 0.79 GBA1 (0.43) TLR7TLR8LIPGKDM4EALDH1A1
SCHEMBL1232669 0.78 HRH4 (0.37) TLR7KDM4EUSP2ALDH1A1HPGD
SCHEMBL1233314 0.78 TLR7 (0.39) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 TLR7 821/4885TLR8 958/4885LIPG 4184/4885

“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.