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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL697466

CS(=O)(=O)[C@H]1CN[C@H](C(=O)NC2(C#N)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.58
▸ CTSC P53634 4/20 0.57
▸ CTSL P07711 12/20 0.38
▸ CTSB P07858 12/20 0.38
▸ CTSK P43235 3/20 0.35

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
SCHEMBL695731 0.92 CTSC (0.63) CTSSCTSCCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL697343 0.84 CTSS (0.54) CTSSCTSCCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL694517 0.83 CTSS (0.71) CTSSCTSCCTSLCTSBCTSK
SCHEMBL2106602 0.76 CTSC (0.55) CTSSCTSCCTSLCTSBCTSK
Hydrochloric Acid SCHEMBL2105547 0.75 CTSC (0.54) CTSSCTSCCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL695530 0.74 CHRNB2 (0.32) CTSS
SCHEMBL695956 0.74 CTSS (1.00) CTSSCTSCCTSLCTSB
SCHEMBL696004 0.74 CTSS (1.00) CTSSCTSCCTSLCTSB
SCHEMBL29840821 0.73 CTSC (1.00) CTSSCTSCCTSLCTSBCTSK
SCHEMBL15193990 0.73 CTSS (0.62) CTSSCTSCCTSLCTSBCTSK

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-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 — — US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP disclosed