Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3464018

COc1cc(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.45
F2 P00734 7/20 0.43
PRSS1 P07477 7/20 0.43
F7 P08709 7/20 0.43
F10 P00742 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PRSS2 P07478 2/20 0.42
F3 P13726 2/20 0.42
PRSS3 P35030 2/20 0.42
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ABCB1 P08183 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
SCHEMBL13163044 0.95 ALDH1A1 (0.51) ALDH1A1HTTF2PRSS1F7
Trifluoroacetic Acid SCHEMBL3464956 0.90 F7 (0.47) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL3463552 0.88 F7 (0.46) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL3464911 0.88 F2 (0.46) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL3463948 0.87 F7 (0.48) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL3464775 0.86 F7 (0.44) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL4911664 0.85 F2 (0.44) F2PRSS1F7F10PRSS2
SCHEMBL13163045 0.85 F7 (0.49) ALDH1A1F2PRSS1F7F10
Trifluoroacetic Acid SCHEMBL3464509 0.84 PRSS1 (0.46) F2PRSS1F7F10PRSS2
SCHEMBL13162829 0.83 F7 (0.52) ALDH1A1F2PRSS1F7F10

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 ALDH1A1 192/4885HTT 154/4885F2 19/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ALDH1A1 192/4885HTT 154/4885F2 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.