Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3165131

CN1CCN(C2CCN(Cc3ccc(C(=O)NN(c4nc(C#N)ncc4Br)C4CCOCC4)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSL P07711 2/20 0.56
CTSB P07858 1/20 0.56
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
CXCR3 P49682 6/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
ACVR1 Q04771 1/20 0.35
SLC6A5 Q9Y345 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
SCHEMBL3165872 0.95 CTSS (0.60) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3165929 0.95 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3159693 0.95 CTSS (0.62) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3169427 0.94 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3166721 0.93 CTSS (0.48) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3166832 0.92 CTSL (0.49) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3174935 0.92 CTSS (0.55) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3165907 0.92 CTSS (0.55) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3166874 0.91 CTSL (0.49) CTSSCTSKCTSLCTSBHIF1A
Trifluoroacetic Acid SCHEMBL3166613 0.90 CTSS (0.55) CTSSCTSKCTSLCTSBCXCR3

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 8 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-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP 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.