SCHEMBL30001772

SCHEMBL30001772

CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSV O60911 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL24960455 1.00 CTSL (0.43) CTSLCTSBCTSVCYP3A4CTSS
SCHEMBL24960431 0.87 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL24691128 0.87 CTSS (0.46) CTSLCTSBCTSSCTSK
SCHEMBL30001761 0.87 CTSS (0.46) CTSLCTSBCTSSCTSK
SCHEMBL24960454 0.85 CTSL (0.48) CTSLCTSB
SCHEMBL30001288 0.85 CTSL (0.48) CTSLCTSB
SCHEMBL24113160 0.85 — —
SCHEMBL29063090 0.85 — —
SCHEMBL31374909 0.82 CTSL (0.65) CTSLCTSBCTSSCTSK
SCHEMBL30819701 0.82 CTSL (0.44) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347034-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2024-04-10 — — EP disclosed
CN-117769541-A protease inhibitors as antiviral agents 艾森医药有限公司 2024-03-26 — — CN disclosed
WO-2022256434-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2022-12-08 — — WO disclosed
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