Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3175934

CN1CCN(C2CCN(Cc3cccc(C(=O)NN(c4nc(C#N)ncc4Br)C4CCCC4)c3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSK P43235 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 1/20 0.49
CXCR3 P49682 3/20 0.39
SLC2A1 P11166 4/20 0.39
GPR6 P46095 1/20 0.36
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
RET P07949 2/20 0.35
ACKR3 P25106 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
Trifluoroacetic Acid SCHEMBL3160111 0.99 CTSS (0.48) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL3165237 0.95 CTSS (0.53) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL3159740 0.95 CTSS (0.52) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3165468 0.92 CTSL (0.41) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3165929 0.92 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3166663 0.92 CTSL (0.41) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3172970 0.92 CTSS (0.48) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3169427 0.91 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3175330 0.91 CTSS (0.48) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3170105 0.90 CTSS (0.51) CTSSCTSKCTSLCTSBSLC2A1

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.