Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3463952

COc1cc(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NNC(=O)c2ccncc2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.42
F7 P08709 11/20 0.42
F2 P00734 11/20 0.42
F10 P00742 10/20 0.42
PRSS2 P07478 4/20 0.42
F3 P13726 4/20 0.42
PRSS3 P35030 4/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SLC2A1 P11166 1/20 0.36
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL13161760 0.95 PRSS1 (0.44) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3463948 0.92 F7 (0.48) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3463506 0.90 ALDH1A1 (0.46) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3463850 0.90 PRSS1 (0.42) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3463870 0.89 PRSS1 (0.41) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3462958 0.89 PRSS1 (0.41) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3464346 0.88 PRSS1 (0.40) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3463566 0.88 PRSS1 (0.40) PRSS1F7F2F10PRSS2
Trifluoroacetic Acid SCHEMBL3464903 0.88 PRSS1 (0.40) PRSS1F7F2F10PRSS2
SCHEMBL13162829 0.88 F7 (0.52) PRSS1F7F2F10PRSS2

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 185/4885F2 19/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 PRSS1 727/4885F7 185/4885F2 19/4885

“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.