Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3315643

CN(C)CCn1cnc2c(N(CC3CCCC3)NC(=O)OC(C)(C)C)nc(C#N)nc21.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.41
CTSL P07711 5/20 0.41
CTSK P43235 4/20 0.41
CTSB P07858 2/20 0.37
MAPK14 Q16539 1/20 0.32
MTOR P42345 1/20 0.32

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 SCHEMBL3317356 0.96 CTSL (0.39) CTSSCTSLCTSKCTSB
SCHEMBL3320180 0.96 CTSS (0.44) CTSSCTSLCTSKCTSBMAPK14
SCHEMBL3319229 0.91 CTSL (0.41) CTSSCTSLCTSKCTSBMTOR
Trifluoroacetic Acid SCHEMBL3321529 0.89 CTSS (0.42) CTSSCTSLCTSKCTSBMAPK14
SCHEMBL13942127 0.85 CTSL (0.44) CTSSCTSLCTSKCTSBMAPK14
Trifluoroacetic Acid SCHEMBL3322739 0.85 CTSL (0.40) CTSSCTSLCTSKCTSB
SCHEMBL8142963 0.84 CTSS (0.39) CTSSCTSLCTSB
SCHEMBL3319215 0.84 CTSL (0.46) CTSSCTSLCTSKCTSBMAPK14
Trifluoroacetic Acid SCHEMBL3317208 0.84 CTSS (0.44) CTSSCTSLCTSKCTSBMAPK14
SCHEMBL3315952 0.83 CTSL (0.47) CTSSCTSLCTSKCTSBMAPK14

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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US claimed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP claimed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP claimed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSS 37/4885CTSL 31/4885CTSK 135/4885

“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.