Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3321665

CN(C)CCn1cnc2c(N(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)C3CCCCC3)nc(C#N)nc21.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.44
CTSL P07711 6/20 0.44
CTSK P43235 5/20 0.44
CTSB P07858 3/20 0.44
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
TBK1 Q9UHD2 4/20 0.35
SLC2A1 P11166 1/20 0.35
IKBKE Q14164 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34
NR3C1 P04150 1/20 0.34
MAPK14 Q16539 1/20 0.33
ALK Q9UM73 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 SCHEMBL3318255 0.99 CTSS (0.45) CTSSCTSLCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3319007 0.96 CTSL (0.43) CTSSCTSLCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3318851 0.95 CTSL (0.44) CTSSCTSLCTSKCTSBTLR9
SCHEMBL3319998 0.95 CTSL (0.48) CTSSCTSLCTSKCTSBTLR9
SCHEMBL3320348 0.95 CTSL (0.48) CTSSCTSLCTSKCTSBTLR9
SCHEMBL3317949 0.91 CTSL (0.47) CTSSCTSLCTSKCTSBTLR9
SCHEMBL3320153 0.91 CTSL (0.47) CTSSCTSLCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3320277 0.90 CTSS (0.48) CTSSCTSLCTSKCTSBTBK1
Trifluoroacetic Acid SCHEMBL3322320 0.90 CTSS (0.46) CTSSCTSLCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3319154 0.90 CTSS (0.39) CTSSCTSLCTSKCTSBSLC2A1

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 4 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-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP claimed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US 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.