Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3317533

CN1CCN(C(=O)C2CCN(Cc3ccc(C(=O)NN(c4nc(C#N)nc5c4ncn5C)C4CCCCC4)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.44
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
PRKAA2 P54646 3/20 0.41
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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 SCHEMBL3317593 0.99 CTSS (0.45) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3322741 0.95 CTSS (0.47) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3315529 0.95 CTSS (0.47) CTSSCTSKCTSLCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3320277 0.93 CTSS (0.48) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3918126 0.91 CTSS (0.43) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3921339 0.90 CTSS (0.43) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3321787 0.89 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL3318220 0.88 CTSS (0.52) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3322367 0.88 CTSS (0.45) CTSSCTSKCTSLCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3317815 0.88 CTSS (0.45) CTSSCTSKCTSLCTSB

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 5 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-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSS 37/4885CTSK 135/4885CTSL 31/4885

“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.