Sugi Predict

Sugi Predict / Compounds / SCHEMBL30001296

SCHEMBL30001296

SCHEMBL30001296

CC(C)C[C@H](NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(CC1CCNC1=O)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.60
▸ CAPN1 P07384 1/20 0.60
▸ CTSB P07858 4/20 0.58
▸ CTSS P25774 1/20 0.58
▸ CTSK P43235 1/20 0.58
▸ CTSF Q9UBX1 1/20 0.58

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
SCHEMBL8040518 0.95 CTSL (0.61) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL25243876 0.94 CTSL (0.61) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL25284018 0.94 CTSL (0.61) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL24690933 0.93 CTSL (0.61) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL8055182 0.93 CTSL (0.61) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL24690931 0.91 CTSL (0.60) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL8051930 0.91 CTSL (0.60) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL8055057 0.91 CTSL (0.58) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL24960978 0.91 CTSL (0.58) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL8058160 0.90 CTSL (0.57) CTSLCAPN1CTSBCTSSCTSK

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
EP-4347034-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2024-04-10 — — EP disclosed
WO-2022256434-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2022-12-08 — — WO disclosed