Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6019240

N#CCNC(=O)C(N)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSB P07858 5/20 0.60
CTSK P43235 5/20 0.60
CTSL P07711 4/20 0.57
CTSC P53634 3/20 0.48
OPRD1 P41143 1/20 0.48
NLN Q9BYT8 1/20 0.46
OPRK1 P41145 2/20 0.45

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
SCHEMBL6019536 0.93 CTSS (0.61) CTSSCTSBCTSKCTSLCTSC
SCHEMBL5456972 0.81 CTSS (0.67) CTSSCTSBCTSKCTSLCTSC
SCHEMBL16626138 0.81 CTSS (0.67) CTSSCTSBCTSKCTSLCTSC
SCHEMBL5924660 0.81 CTSS (0.67) CTSSCTSBCTSKCTSLCTSC
SCHEMBL6020723 0.81 NLN (0.52) CTSSCTSBCTSKCTSLCTSC
Trifluoroacetic Acid SCHEMBL31734190 0.80 HTR2A (0.49)
SCHEMBL5556817 0.78 NLN (0.62) CTSCOPRD1NLN
SCHEMBL30104067 0.78 OPRD1 (0.54) CTSCOPRD1NLN
SCHEMBL6021309 0.78 CTSS (0.74) CTSSCTSBCTSKCTSL
SCHEMBL30702234 0.77 HTR2A (0.49) CTSSCTSBCTSKCTSLCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSS 2720/4885CTSB 2514/4885CTSK 2529/4885

“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.