Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3159852

CN1CCCC(CN2CCN(Cc3ccc(C(=O)NN(c4nc(C#N)ncc4Br)C4CCOCC4)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.54
CTSK P43235 4/20 0.54
CTSL P07711 3/20 0.54
CTSB P07858 1/20 0.54
SLC2A1 P11166 2/20 0.41
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PRKAA2 P54646 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 2/20 0.34
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CSF1R P07333 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CHRM4 P08173 1/20 0.33

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 SCHEMBL3175308 0.95 CTSS (0.57) CTSSCTSKCTSLCTSBSLC2A1
SCHEMBL3174467 0.95 CTSS (0.58) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3159709 0.95 CTSS (0.56) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3165545 0.93 CTSS (0.57) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3159693 0.92 CTSS (0.62) CTSSCTSKCTSLCTSBHIF1A
SCHEMBL3169254 0.91 CTSS (0.62) CTSSCTSKCTSLCTSBSLC2A1
SCHEMBL3169363 0.90 CTSS (0.61) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3180736 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3172621 0.88 CTSS (0.59) CTSSCTSKCTSLCTSBSLC2A1
SCHEMBL3164990 0.88 CTSS (0.62) CTSSCTSKCTSLCTSBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US claimed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP claimed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP claimed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP claimed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 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 (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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 CTSS 15/4885CTSK 65/4885CTSL 9/4885

“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.