Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3315702

CN(CCn1cnc2c(N(NC(=O)OC(C)(C)C)C3CCCC3)nc(C#N)nc21)C(C)(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSL P07711 9/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 3/20 0.38
MTOR P42345 1/20 0.31
CTSV O60911 1/20 0.31
CTSH P09668 1/20 0.31
CASP4 P49662 1/20 0.31
MMP14 P50281 1/20 0.31
CTSC P53634 1/20 0.31
BACE1 P56817 1/20 0.31
ADAM17 P78536 1/20 0.31
CTSZ Q9UBR2 1/20 0.31
KLK4 Q9Y5K2 1/20 0.31

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
SCHEMBL3319238 0.95 CTSL (0.44) CTSSCTSLCTSKCTSBMTOR
Trifluoroacetic Acid SCHEMBL3321529 0.94 CTSS (0.42) CTSSCTSLCTSKCTSB
Trifluoroacetic Acid SCHEMBL3322739 0.91 CTSL (0.40) CTSSCTSLCTSKCTSB
SCHEMBL3319215 0.89 CTSL (0.46) CTSSCTSLCTSKCTSBMTOR
SCHEMBL3315952 0.89 CTSL (0.47) CTSSCTSLCTSKCTSBMTOR
SCHEMBL3317262 0.86 CTSL (0.43) CTSSCTSLCTSKCTSB
SCHEMBL3318368 0.86 CTSL (0.43) CTSSCTSLCTSKCTSB
Trifluoroacetic Acid SCHEMBL3315786 0.86 CTSS (0.37) CTSSCTSLCTSKCTSBMTOR
SCHEMBL8130329 0.84 MTOR (0.34) CTSSCTSLCTSKMTOR
Trifluoroacetic Acid SCHEMBL3315643 0.83 CTSS (0.41) CTSSCTSLCTSKCTSBMTOR

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 2 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
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.