Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3463255

COc1cc(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NNc2ccccc2C(=O)O)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.48
F7 P08709 12/20 0.48
F10 P00742 11/20 0.48
F2 P00734 10/20 0.48
F3 P13726 5/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK8 P45983 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TMPRSS15 P98073 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13162827 0.96 F7 (0.51) PRSS1F7F10F2F3
SCHEMBL3463263 0.89 F7 (0.45) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3463920 0.89 F7 (0.57) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3462920 0.88 F7 (0.49) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3464956 0.87 F7 (0.47) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3463454 0.86 F7 (0.48) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3463948 0.86 F7 (0.48) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3463552 0.85 F7 (0.46) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3464911 0.85 F2 (0.46) PRSS1F7F10F2F3
Trifluoroacetic Acid SCHEMBL3464775 0.83 F7 (0.44) PRSS1F7F10F2F3

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-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 PRSS1 727/4885F7 185/4885F10 11/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 PRSS1 727/4885F7 185/4885F10 11/4885

“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.